1-(2-amino-1-cyclopropylethyl)-3-(1,2-diphenylethyl)urea

C20H25N3O — CID 166237644

IUPAC1-(2-amino-1-cyclopropylethyl)-3-(1,2-diphenylethyl)urea
SMILESNCC(NC(=O)NC(Cc1ccccc1)c1ccccc1)C1CC1
InChIInChI=1S/C20H25N3O/c21-14-19(17-11-12-17)23-20(24)22-18(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-10,17-19H,11-14,21H2,(H2,22,23,24)
InChIKeyCCNMQJWZJJCQCK-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.01
Rot. Bonds7

About 1-(2-amino-1-cyclopropylethyl)-3-(1,2-diphenylethyl)urea

1-(2-amino-1-cyclopropylethyl)-3-(1,2-diphenylethyl)urea (PubChem CID 166237644) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(2-amino-1-cyclopropylethyl)-3-(1,2-diphenylethyl)urea.

Molecular Properties

Compound Name1-(2-amino-1-cyclopropylethyl)-3-(1,2-diphenylethyl)urea
PubChem CID166237644
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-(2-amino-1-cyclopropylethyl)-3-(1,2-diphenylethyl)urea
SMILESNCC(NC(=O)NC(Cc1ccccc1)c1ccccc1)C1CC1
InChIInChI=1S/C20H25N3O/c21-14-19(17-11-12-17)23-20(24)22-18(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-10,17-19H,11-14,21H2,(H2,22,23,24)
InChIKeyCCNMQJWZJJCQCK-UHFFFAOYSA-N
XLogP3.01
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2,2-diphenylacetamide;hydrochloride
CID 119616015
1,2-diphenylethylurea
CID 2853470
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea
CID 95632300
N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide
CID 65189008
(2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide
CID 120784380
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
N-(2-amino-1-cyclopropylethyl)-3-methyl-2-phenylpentanamide
CID 65188547
N-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide
CID 119613585
1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea
CID 111435397
methyl N-(1,2-diphenylethyl)carbamate
CID 139785732
6-amino-N-(1,2-diphenylethyl)hexanamide
CID 42792343

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-cyclopropylethyl)-3-(1,2-diphenylethyl)urea?
The IUPAC name of 1-(2-amino-1-cyclopropylethyl)-3-(1,2-diphenylethyl)urea (CID 166237644) is 1-(2-amino-1-cyclopropylethyl)-3-(1,2-diphenylethyl)urea.
What is the SMILES notation for 1-(2-amino-1-cyclopropylethyl)-3-(1,2-diphenylethyl)urea?
The canonical SMILES for 1-(2-amino-1-cyclopropylethyl)-3-(1,2-diphenylethyl)urea is NCC(NC(=O)NC(Cc1ccccc1)c1ccccc1)C1CC1.
What is the InChIKey of 1-(2-amino-1-cyclopropylethyl)-3-(1,2-diphenylethyl)urea?
The InChIKey is CCNMQJWZJJCQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c21-14-19(17-11-12-17)23-20(24)22-18(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-10,17-19H,11-14,21H2,(H2,22,23,24).
What are the key properties of 1-(2-amino-1-cyclopropylethyl)-3-(1,2-diphenylethyl)urea?
1-(2-amino-1-cyclopropylethyl)-3-(1,2-diphenylethyl)urea has a molecular weight of 323.44 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-cyclopropylethyl)-3-(1,2-diphenylethyl)urea is sourced from PubChem (CID 166237644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).