N-[3-[3-(hydroxymethyl)pentan-3-ylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C14H26N2O3 — CID 62519781

IUPACN-[3-[3-(hydroxymethyl)pentan-3-ylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCCC(CC)(CO)NC(=O)CCNC(=O)C1CC1C
InChIInChI=1S/C14H26N2O3/c1-4-14(5-2,9-17)16-12(18)6-7-15-13(19)11-8-10(11)3/h10-11,17H,4-9H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyFPXCIUILKBRECS-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.82
Rot. Bonds8

About N-[3-[3-(hydroxymethyl)pentan-3-ylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

N-[3-[3-(hydroxymethyl)pentan-3-ylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 62519781) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[3-[3-(hydroxymethyl)pentan-3-ylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(hydroxymethyl)pentan-3-ylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID62519781
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-[3-[3-(hydroxymethyl)pentan-3-ylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCCC(CC)(CO)NC(=O)CCNC(=O)C1CC1C
InChIInChI=1S/C14H26N2O3/c1-4-14(5-2,9-17)16-12(18)6-7-15-13(19)11-8-10(11)3/h10-11,17H,4-9H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyFPXCIUILKBRECS-UHFFFAOYSA-N
XLogP0.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 71942014
3-(cyclopropylamino)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62519982
cis-(1R,2S)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 95357811
N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 115362728
N-(3-amino-3-oxopropyl)-2-methylcyclopropane-1-carboxamide
CID 43350590
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylsulfanylpropanamide
CID 104630014
1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 81362085
N-[3-[1-hydroxypropan-2-yl(methyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 112548158
2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclobutyl]acetic acid
CID 79845909
2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentyl]acetic acid
CID 64671418
2-methyl-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 62657204
N-[3-(hydroxymethyl)pentan-3-yl]octanamide
CID 55082633

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(hydroxymethyl)pentan-3-ylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[3-(hydroxymethyl)pentan-3-ylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 62519781) is N-[3-[3-(hydroxymethyl)pentan-3-ylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[3-(hydroxymethyl)pentan-3-ylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[3-(hydroxymethyl)pentan-3-ylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is CCC(CC)(CO)NC(=O)CCNC(=O)C1CC1C.
What is the InChIKey of N-[3-[3-(hydroxymethyl)pentan-3-ylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is FPXCIUILKBRECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-14(5-2,9-17)16-12(18)6-7-15-13(19)11-8-10(11)3/h10-11,17H,4-9H2,1-3H3,(H,15,19)(H,16,18).
What are the key properties of N-[3-[3-(hydroxymethyl)pentan-3-ylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
N-[3-[3-(hydroxymethyl)pentan-3-ylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 0.82, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(hydroxymethyl)pentan-3-ylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 62519781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).