2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide

C14H27N3O2 — CID 115585935

IUPAC2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC(=O)NC1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-4-17(5-2)13(18)11(3)15-14(19)16-12-9-7-6-8-10-12/h11-12H,4-10H2,1-3H3,(H2,15,16,19)
InChIKeyGJLNWANIZJTZFS-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.88
Rot. Bonds5

About 2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide

2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide (PubChem CID 115585935) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide
PubChem CID115585935
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC(=O)NC1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-4-17(5-2)13(18)11(3)15-14(19)16-12-9-7-6-8-10-12/h11-12H,4-10H2,1-3H3,(H2,15,16,19)
InChIKeyGJLNWANIZJTZFS-UHFFFAOYSA-N
XLogP1.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cycloheptylamino)-N,N-diethylpropanamide
CID 43132181
ethyl 2-(cyclohexylcarbamoylamino)propanoate
CID 54959999
2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide
CID 116509964
2-(cyclohexylcarbamoylamino)-N-propylpropanamide
CID 47112302
N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626
2-(cyclopropylamino)-N,N-diethylpropanamide
CID 43113043
2-(1-cyclopentylethylamino)-N,N-diethylpropanamide
CID 62631567
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 7841418
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-diethylpropanamide
CID 43420346
1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
CID 127009415
1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 79255042
1-cyclopentyl-3-[1-(dimethylamino)propan-2-yl]urea
CID 116657212

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide?
The IUPAC name of 2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide (CID 115585935) is 2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide?
The canonical SMILES for 2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NC(=O)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide?
The InChIKey is GJLNWANIZJTZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-17(5-2)13(18)11(3)15-14(19)16-12-9-7-6-8-10-12/h11-12H,4-10H2,1-3H3,(H2,15,16,19).
What are the key properties of 2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide?
2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide has a molecular weight of 269.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamoylamino)-N,N-diethylpropanamide is sourced from PubChem (CID 115585935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).