N-[1-[[1-[[3-[[1-[(dimethylamino)methyl]cyclobutyl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[(2-formamidoacetyl)amino]-4-methylpentanamide

C27H49N7O6 — CID 174305420

IUPACN-[1-[[1-[[3-[[1-[(dimethylamino)methyl]cyclobutyl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[(2-formamidoacetyl)amino]-4-methylpentanamide
SMILESCC(C)CC(NC(=O)CNC=O)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC1(CN(C)C)CCC1
InChIInChI=1S/C27H49N7O6/c1-18(2)14-19(30-21(37)15-28-17-35)22(38)32-26(5,6)24(40)33-25(3,4)23(39)29-13-10-20(36)31-27(11-9-12-27)16-34(7)8/h17-19H,9-16H2,1-8H3,(H,28,35)(H,29,39)(H,30,37)(H,31,36)(H,32,38)(H,33,40)
InChIKeyDFWIQCGZURWYPJ-UHFFFAOYSA-N
MW567.73 g/mol
LogP-0.84
Rot. Bonds17

About N-[1-[[1-[[3-[[1-[(dimethylamino)methyl]cyclobutyl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[(2-formamidoacetyl)amino]-4-methylpentanamide

N-[1-[[1-[[3-[[1-[(dimethylamino)methyl]cyclobutyl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[(2-formamidoacetyl)amino]-4-methylpentanamide (PubChem CID 174305420) has the molecular formula C27H49N7O6 and a molecular weight of 567.73 g/mol. Its IUPAC name is N-[1-[[1-[[3-[[1-[(dimethylamino)methyl]cyclobutyl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[(2-formamidoacetyl)amino]-4-methylpentanamide.

Molecular Properties

Compound NameN-[1-[[1-[[3-[[1-[(dimethylamino)methyl]cyclobutyl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[(2-formamidoacetyl)amino]-4-methylpentanamide
PubChem CID174305420
Molecular FormulaC27H49N7O6
Molecular Weight567.73 g/mol
Exact Mass567.37
IUPAC NameN-[1-[[1-[[3-[[1-[(dimethylamino)methyl]cyclobutyl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[(2-formamidoacetyl)amino]-4-methylpentanamide
SMILESCC(C)CC(NC(=O)CNC=O)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC1(CN(C)C)CCC1
InChIInChI=1S/C27H49N7O6/c1-18(2)14-19(30-21(37)15-28-17-35)22(38)32-26(5,6)24(40)33-25(3,4)23(39)29-13-10-20(36)31-27(11-9-12-27)16-34(7)8/h17-19H,9-16H2,1-8H3,(H,28,35)(H,29,39)(H,30,37)(H,31,36)(H,32,38)(H,33,40)
InChIKeyDFWIQCGZURWYPJ-UHFFFAOYSA-N
XLogP-0.84
TPSA177.84 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.73
LogP ≤ 5-0.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[1-[[1-[[3-[[1-[(dimethylamino)methyl]cyclobutyl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[(2-formamidoacetyl)amino]-4-methylpentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[[3-[[1-[(dimethylamino)methyl]cyclobutyl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[(2-formamidoacetyl)amino]-4-methylpentanamide?
The IUPAC name of N-[1-[[1-[[3-[[1-[(dimethylamino)methyl]cyclobutyl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[(2-formamidoacetyl)amino]-4-methylpentanamide (CID 174305420) is N-[1-[[1-[[3-[[1-[(dimethylamino)methyl]cyclobutyl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[(2-formamidoacetyl)amino]-4-methylpentanamide.
What is the SMILES notation for N-[1-[[1-[[3-[[1-[(dimethylamino)methyl]cyclobutyl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[(2-formamidoacetyl)amino]-4-methylpentanamide?
The canonical SMILES for N-[1-[[1-[[3-[[1-[(dimethylamino)methyl]cyclobutyl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[(2-formamidoacetyl)amino]-4-methylpentanamide is CC(C)CC(NC(=O)CNC=O)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC1(CN(C)C)CCC1.
What is the InChIKey of N-[1-[[1-[[3-[[1-[(dimethylamino)methyl]cyclobutyl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[(2-formamidoacetyl)amino]-4-methylpentanamide?
The InChIKey is DFWIQCGZURWYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H49N7O6/c1-18(2)14-19(30-21(37)15-28-17-35)22(38)32-26(5,6)24(40)33-25(3,4)23(39)29-13-10-20(36)31-27(11-9-12-27)16-34(7)8/h17-19H,9-16H2,1-8H3,(H,28,35)(H,29,39)(H,30,37)(H,31,36)(H,32,38)(H,33,40).
What are the key properties of N-[1-[[1-[[3-[[1-[(dimethylamino)methyl]cyclobutyl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[(2-formamidoacetyl)amino]-4-methylpentanamide?
N-[1-[[1-[[3-[[1-[(dimethylamino)methyl]cyclobutyl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[(2-formamidoacetyl)amino]-4-methylpentanamide has a molecular weight of 567.73 g/mol, XLogP of -0.84, 17 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[[3-[[1-[(dimethylamino)methyl]cyclobutyl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[(2-formamidoacetyl)amino]-4-methylpentanamide is sourced from PubChem (CID 174305420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).