1-(3-amino-3-phenylpropyl)-3-cyclohexylurea

C16H25N3O — CID 80506800

IUPAC1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
SMILESNC(CCNC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25N3O/c17-15(13-7-3-1-4-8-13)11-12-18-16(20)19-14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-12,17H2,(H2,18,19,20)
InChIKeyINNAQKSZXHCTEC-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.71
Rot. Bonds5

About 1-(3-amino-3-phenylpropyl)-3-cyclohexylurea

1-(3-amino-3-phenylpropyl)-3-cyclohexylurea (PubChem CID 80506800) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(3-amino-3-phenylpropyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
PubChem CID80506800
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
SMILESNC(CCNC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25N3O/c17-15(13-7-3-1-4-8-13)11-12-18-16(20)19-14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-12,17H2,(H2,18,19,20)
InChIKeyINNAQKSZXHCTEC-UHFFFAOYSA-N
XLogP2.71
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112417
N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide
CID 114458464
1-(3-aminobutyl)-3-cyclohexylurea
CID 63253951
1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341
N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
CID 80506627
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide
CID 79377333
1-(2-anilinoethyl)-3-cyclohexylurea
CID 22978773
1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea
CID 99998094
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
N-(3-amino-3-phenylpropyl)oxane-2-carboxamide
CID 80506763
2-[4-(cyclohexylcarbamoylamino)butanoylamino]-2-phenylacetic acid
CID 119113414
1-cyclohexyl-3-[(1S,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 70268253

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-phenylpropyl)-3-cyclohexylurea?
The IUPAC name of 1-(3-amino-3-phenylpropyl)-3-cyclohexylurea (CID 80506800) is 1-(3-amino-3-phenylpropyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(3-amino-3-phenylpropyl)-3-cyclohexylurea?
The canonical SMILES for 1-(3-amino-3-phenylpropyl)-3-cyclohexylurea is NC(CCNC(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of 1-(3-amino-3-phenylpropyl)-3-cyclohexylurea?
The InChIKey is INNAQKSZXHCTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-15(13-7-3-1-4-8-13)11-12-18-16(20)19-14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-12,17H2,(H2,18,19,20).
What are the key properties of 1-(3-amino-3-phenylpropyl)-3-cyclohexylurea?
1-(3-amino-3-phenylpropyl)-3-cyclohexylurea has a molecular weight of 275.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-phenylpropyl)-3-cyclohexylurea is sourced from PubChem (CID 80506800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).