2-[[2-(1-aminocyclohexyl)acetyl]amino]-N-propylpropanamide

C14H27N3O2 — CID 64684814

IUPAC2-[[2-(1-aminocyclohexyl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)CC1(N)CCCCC1
InChIInChI=1S/C14H27N3O2/c1-3-9-16-13(19)11(2)17-12(18)10-14(15)7-5-4-6-8-14/h11H,3-10,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyZOLXQIGKSPCDBA-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.07
Rot. Bonds6

About 2-[[2-(1-aminocyclohexyl)acetyl]amino]-N-propylpropanamide

2-[[2-(1-aminocyclohexyl)acetyl]amino]-N-propylpropanamide (PubChem CID 64684814) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[[2-(1-aminocyclohexyl)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[2-(1-aminocyclohexyl)acetyl]amino]-N-propylpropanamide
PubChem CID64684814
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[[2-(1-aminocyclohexyl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)CC1(N)CCCCC1
InChIInChI=1S/C14H27N3O2/c1-3-9-16-13(19)11(2)17-12(18)10-14(15)7-5-4-6-8-14/h11H,3-10,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyZOLXQIGKSPCDBA-UHFFFAOYSA-N
XLogP1.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(1-aminocyclobutyl)acetyl]amino]propanamide
CID 79851893
2-(1-aminocyclohexyl)-N-(2-methylpentan-3-yl)acetamide
CID 64678828
2-[[2-(1-aminocyclopentyl)acetyl]amino]-N,N-dimethylpropanamide
CID 64685184
2-(1-aminocyclohexyl)-N-hexan-3-ylacetamide
CID 64679470
2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide
CID 104677624
2-(1-aminocyclopentyl)-N-(3-ethylpentan-2-yl)acetamide
CID 64676880
3-[[2-(1-aminocyclobutyl)acetyl]amino]-N-propylpropanamide
CID 79853865
2-(1-aminocyclohexyl)-N-(1-cyclopentylethyl)acetamide
CID 64679071
2-(1-aminocyclohexyl)-N-[(1R)-1-cyclopentylethyl]acetamide
CID 81389349
2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide
CID 64678530
(2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid
CID 64678791
(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide
CID 9207769

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-aminocyclohexyl)acetyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[2-(1-aminocyclohexyl)acetyl]amino]-N-propylpropanamide (CID 64684814) is 2-[[2-(1-aminocyclohexyl)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[2-(1-aminocyclohexyl)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[2-(1-aminocyclohexyl)acetyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NC(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-[[2-(1-aminocyclohexyl)acetyl]amino]-N-propylpropanamide?
The InChIKey is ZOLXQIGKSPCDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-9-16-13(19)11(2)17-12(18)10-14(15)7-5-4-6-8-14/h11H,3-10,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[2-(1-aminocyclohexyl)acetyl]amino]-N-propylpropanamide?
2-[[2-(1-aminocyclohexyl)acetyl]amino]-N-propylpropanamide has a molecular weight of 269.39 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-aminocyclohexyl)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 64684814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).