2-(cyclohexylcarbamoylamino)-N-propylpropanamide

C13H25N3O2 — CID 47112302

IUPAC2-(cyclohexylcarbamoylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)NC1CCCCC1
InChIInChI=1S/C13H25N3O2/c1-3-9-14-12(17)10(2)15-13(18)16-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,14,17)(H2,15,16,18)
InChIKeyFVLSMEGEJGPZHC-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.53
Rot. Bonds5

About 2-(cyclohexylcarbamoylamino)-N-propylpropanamide

2-(cyclohexylcarbamoylamino)-N-propylpropanamide (PubChem CID 47112302) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(cyclohexylcarbamoylamino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(cyclohexylcarbamoylamino)-N-propylpropanamide
PubChem CID47112302
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(cyclohexylcarbamoylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)NC1CCCCC1
InChIInChI=1S/C13H25N3O2/c1-3-9-14-12(17)10(2)15-13(18)16-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,14,17)(H2,15,16,18)
InChIKeyFVLSMEGEJGPZHC-UHFFFAOYSA-N
XLogP1.53
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626
2-(cyclopropylcarbamoylamino)-N-ethylpropanamide
CID 115575153
1-cyclopentyl-3-propylurea
CID 14343339
ethyl 2-(cyclohexylcarbamoylamino)propanoate
CID 54959999
(2S)-N-cyclopentyl-2-(pentylcarbamoylamino)propanamide
CID 94782979
2-(cyclobutylcarbamoylamino)-N-(2-methoxyethyl)propanamide
CID 116657734
N-benzyl-2-(cyclohexylcarbamoylamino)propanamide
CID 60573206
2-(propan-2-ylcarbamoylamino)-N-propylpropanamide
CID 115579917
N-cyclohexyl-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 43398679
N-cyclopropyl-2-(cyclopropylcarbamoylamino)propanamide
CID 116657682
2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide
CID 115585935
4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 61478888

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamoylamino)-N-propylpropanamide?
The IUPAC name of 2-(cyclohexylcarbamoylamino)-N-propylpropanamide (CID 47112302) is 2-(cyclohexylcarbamoylamino)-N-propylpropanamide.
What is the SMILES notation for 2-(cyclohexylcarbamoylamino)-N-propylpropanamide?
The canonical SMILES for 2-(cyclohexylcarbamoylamino)-N-propylpropanamide is CCCNC(=O)C(C)NC(=O)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylcarbamoylamino)-N-propylpropanamide?
The InChIKey is FVLSMEGEJGPZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-9-14-12(17)10(2)15-13(18)16-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,14,17)(H2,15,16,18).
What are the key properties of 2-(cyclohexylcarbamoylamino)-N-propylpropanamide?
2-(cyclohexylcarbamoylamino)-N-propylpropanamide has a molecular weight of 255.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamoylamino)-N-propylpropanamide is sourced from PubChem (CID 47112302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).