N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-2-oxo-3-(prop-1-en-2-ylamino)hexanamide

C17H30N4O4 — CID 89245085

IUPACN-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-2-oxo-3-(prop-1-en-2-ylamino)hexanamide
SMILESC=C(C)NC(CCC)C(=O)C(=O)NCC(=O)NC(CC(C)C)C(N)=O
InChIInChI=1S/C17H30N4O4/c1-6-7-12(20-11(4)5)15(23)17(25)19-9-14(22)21-13(16(18)24)8-10(2)3/h10,12-13,20H,4,6-9H2,1-3,5H3,(H2,18,24)(H,19,25)(H,21,22)
InChIKeyRIOUBDSUAUHCTO-UHFFFAOYSA-N
MW354.45 g/mol
LogP-0.02
Rot. Bonds12

About N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-2-oxo-3-(prop-1-en-2-ylamino)hexanamide

N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-2-oxo-3-(prop-1-en-2-ylamino)hexanamide (PubChem CID 89245085) has the molecular formula C17H30N4O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-2-oxo-3-(prop-1-en-2-ylamino)hexanamide.

Molecular Properties

Compound NameN-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-2-oxo-3-(prop-1-en-2-ylamino)hexanamide
PubChem CID89245085
Molecular FormulaC17H30N4O4
Molecular Weight354.45 g/mol
Exact Mass354.23
IUPAC NameN-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-2-oxo-3-(prop-1-en-2-ylamino)hexanamide
SMILESC=C(C)NC(CCC)C(=O)C(=O)NCC(=O)NC(CC(C)C)C(N)=O
InChIInChI=1S/C17H30N4O4/c1-6-7-12(20-11(4)5)15(23)17(25)19-9-14(22)21-13(16(18)24)8-10(2)3/h10,12-13,20H,4,6-9H2,1-3,5H3,(H2,18,24)(H,19,25)(H,21,22)
InChIKeyRIOUBDSUAUHCTO-UHFFFAOYSA-N
XLogP-0.02
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-2-oxo-3-(prop-1-en-2-ylamino)hexanamide?
The IUPAC name of N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-2-oxo-3-(prop-1-en-2-ylamino)hexanamide (CID 89245085) is N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-2-oxo-3-(prop-1-en-2-ylamino)hexanamide.
What is the SMILES notation for N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-2-oxo-3-(prop-1-en-2-ylamino)hexanamide?
The canonical SMILES for N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-2-oxo-3-(prop-1-en-2-ylamino)hexanamide is C=C(C)NC(CCC)C(=O)C(=O)NCC(=O)NC(CC(C)C)C(N)=O.
What is the InChIKey of N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-2-oxo-3-(prop-1-en-2-ylamino)hexanamide?
The InChIKey is RIOUBDSUAUHCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O4/c1-6-7-12(20-11(4)5)15(23)17(25)19-9-14(22)21-13(16(18)24)8-10(2)3/h10,12-13,20H,4,6-9H2,1-3,5H3,(H2,18,24)(H,19,25)(H,21,22).
What are the key properties of N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-2-oxo-3-(prop-1-en-2-ylamino)hexanamide?
N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-2-oxo-3-(prop-1-en-2-ylamino)hexanamide has a molecular weight of 354.45 g/mol, XLogP of -0.02, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-2-oxo-3-(prop-1-en-2-ylamino)hexanamide is sourced from PubChem (CID 89245085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).