N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[1-(pyrrolidine-2-carbonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide

C24H40N6O5 — CID 3769401

IUPACN-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[1-(pyrrolidine-2-carbonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCC(C)CC(NC(=O)C1CCCN1C(=O)C1CCN(C(=O)C2CCCN2)CC1)C(=O)NCC(N)=O
InChIInChI=1S/C24H40N6O5/c1-15(2)13-18(21(32)27-14-20(25)31)28-22(33)19-6-4-10-30(19)23(34)16-7-11-29(12-8-16)24(35)17-5-3-9-26-17/h15-19,26H,3-14H2,1-2H3,(H2,25,31)(H,27,32)(H,28,33)
InChIKeyQHLKTHFFIPVGER-UHFFFAOYSA-N
MW492.62 g/mol
LogP-0.90
Rot. Bonds9

About N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[1-(pyrrolidine-2-carbonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide

N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[1-(pyrrolidine-2-carbonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 3769401) has the molecular formula C24H40N6O5 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[1-(pyrrolidine-2-carbonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[1-(pyrrolidine-2-carbonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide
PubChem CID3769401
Molecular FormulaC24H40N6O5
Molecular Weight492.62 g/mol
Exact Mass492.31
IUPAC NameN-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[1-(pyrrolidine-2-carbonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCC(C)CC(NC(=O)C1CCCN1C(=O)C1CCN(C(=O)C2CCCN2)CC1)C(=O)NCC(N)=O
InChIInChI=1S/C24H40N6O5/c1-15(2)13-18(21(32)27-14-20(25)31)28-22(33)19-6-4-10-30(19)23(34)16-7-11-29(12-8-16)24(35)17-5-3-9-26-17/h15-19,26H,3-14H2,1-2H3,(H2,25,31)(H,27,32)(H,28,33)
InChIKeyQHLKTHFFIPVGER-UHFFFAOYSA-N
XLogP-0.90
TPSA153.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[1-(pyrrolidine-2-carbonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[1-(pyrrolidine-2-carbonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide (CID 3769401) is N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[1-(pyrrolidine-2-carbonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[1-(pyrrolidine-2-carbonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[1-(pyrrolidine-2-carbonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide is CC(C)CC(NC(=O)C1CCCN1C(=O)C1CCN(C(=O)C2CCCN2)CC1)C(=O)NCC(N)=O.
What is the InChIKey of N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[1-(pyrrolidine-2-carbonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is QHLKTHFFIPVGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N6O5/c1-15(2)13-18(21(32)27-14-20(25)31)28-22(33)19-6-4-10-30(19)23(34)16-7-11-29(12-8-16)24(35)17-5-3-9-26-17/h15-19,26H,3-14H2,1-2H3,(H2,25,31)(H,27,32)(H,28,33).
What are the key properties of N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[1-(pyrrolidine-2-carbonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide?
N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[1-(pyrrolidine-2-carbonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 492.62 g/mol, XLogP of -0.90, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[1-(pyrrolidine-2-carbonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 3769401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).