2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide

C13H24N4O4 — CID 18739938

IUPAC2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide
SMILESCCC(=O)NC(C)C(=O)NCNC(=O)C(C)NC(=O)CC
InChIInChI=1S/C13H24N4O4/c1-5-10(18)16-8(3)12(20)14-7-15-13(21)9(4)17-11(19)6-2/h8-9H,5-7H2,1-4H3,(H,14,20)(H,15,21)(H,16,18)(H,17,19)
InChIKeyGLTNBEHQWIVYTG-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.99
Rot. Bonds8

About 2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide

2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide (PubChem CID 18739938) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide.

Molecular Properties

Compound Name2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide
PubChem CID18739938
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide
SMILESCCC(=O)NC(C)C(=O)NCNC(=O)C(C)NC(=O)CC
InChIInChI=1S/C13H24N4O4/c1-5-10(18)16-8(3)12(20)14-7-15-13(21)9(4)17-11(19)6-2/h8-9H,5-7H2,1-4H3,(H,14,20)(H,15,21)(H,16,18)(H,17,19)
InChIKeyGLTNBEHQWIVYTG-UHFFFAOYSA-N
XLogP-0.99
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide
CID 138691369
N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]propanamide
CID 10464584
(2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide
CID 142118598
N-(3-oxobutan-2-yl)propanamide
CID 22943760
(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide
CID 9207769
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
CID 94796972
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
4-oxo-4-[[(2R)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]butanoic acid
CID 95989133
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide
CID 162387449
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
N-(1-sulfanylethyl)propanamide
CID 22119628
methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate
CID 115575411

Frequently Asked Questions

What is the IUPAC name of 2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide?
The IUPAC name of 2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide (CID 18739938) is 2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide.
What is the SMILES notation for 2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide?
The canonical SMILES for 2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide is CCC(=O)NC(C)C(=O)NCNC(=O)C(C)NC(=O)CC.
What is the InChIKey of 2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide?
The InChIKey is GLTNBEHQWIVYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-5-10(18)16-8(3)12(20)14-7-15-13(21)9(4)17-11(19)6-2/h8-9H,5-7H2,1-4H3,(H,14,20)(H,15,21)(H,16,18)(H,17,19).
What are the key properties of 2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide?
2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide has a molecular weight of 300.36 g/mol, XLogP of -0.99, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide is sourced from PubChem (CID 18739938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).