1-cyclopropyl-3-[4-[(2R)-2-phenylazetidine-1-carbonyl]phenyl]urea

C20H21N3O2 — CID 94468030

IUPAC1-cyclopropyl-3-[4-[(2R)-2-phenylazetidine-1-carbonyl]phenyl]urea
SMILESO=C(Nc1ccc(C(=O)N2CC[C@@H]2c2ccccc2)cc1)NC1CC1
InChIInChI=1S/C20H21N3O2/c24-19(23-13-12-18(23)14-4-2-1-3-5-14)15-6-8-16(9-7-15)21-20(25)22-17-10-11-17/h1-9,17-18H,10-13H2,(H2,21,22,25)/t18-/m1/s1
InChIKeyFIWZAJONFIIDKW-GOSISDBHSA-N
MW335.41 g/mol
LogP3.56
Rot. Bonds4

About 1-cyclopropyl-3-[4-[(2R)-2-phenylazetidine-1-carbonyl]phenyl]urea

1-cyclopropyl-3-[4-[(2R)-2-phenylazetidine-1-carbonyl]phenyl]urea (PubChem CID 94468030) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[(2R)-2-phenylazetidine-1-carbonyl]phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-[(2R)-2-phenylazetidine-1-carbonyl]phenyl]urea
PubChem CID94468030
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-cyclopropyl-3-[4-[(2R)-2-phenylazetidine-1-carbonyl]phenyl]urea
SMILESO=C(Nc1ccc(C(=O)N2CC[C@@H]2c2ccccc2)cc1)NC1CC1
InChIInChI=1S/C20H21N3O2/c24-19(23-13-12-18(23)14-4-2-1-3-5-14)15-6-8-16(9-7-15)21-20(25)22-17-10-11-17/h1-9,17-18H,10-13H2,(H2,21,22,25)/t18-/m1/s1
InChIKeyFIWZAJONFIIDKW-GOSISDBHSA-N
XLogP3.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid
CID 122079883
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
(2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide
CID 119313132
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
N-(4-fluorophenyl)-2-phenylazetidine-1-carboxamide
CID 47034423
4-(cyclooctylcarbamoylamino)benzoic acid
CID 61181422
1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium
CID 59803141
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
2-methyl-N-[2-oxo-2-[4-(2-phenylpyrrolidine-1-carbonyl)anilino]ethyl]butanamide
CID 86904268
1-cyclobutyl-3-[4-[(2S)-2-methylpiperazine-1-carbonyl]phenyl]urea;hydrochloride
CID 66878377
2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide
CID 55829505
2-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083323

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[(2R)-2-phenylazetidine-1-carbonyl]phenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[4-[(2R)-2-phenylazetidine-1-carbonyl]phenyl]urea (CID 94468030) is 1-cyclopropyl-3-[4-[(2R)-2-phenylazetidine-1-carbonyl]phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-[(2R)-2-phenylazetidine-1-carbonyl]phenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[4-[(2R)-2-phenylazetidine-1-carbonyl]phenyl]urea is O=C(Nc1ccc(C(=O)N2CC[C@@H]2c2ccccc2)cc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[4-[(2R)-2-phenylazetidine-1-carbonyl]phenyl]urea?
The InChIKey is FIWZAJONFIIDKW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19(23-13-12-18(23)14-4-2-1-3-5-14)15-6-8-16(9-7-15)21-20(25)22-17-10-11-17/h1-9,17-18H,10-13H2,(H2,21,22,25)/t18-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[4-[(2R)-2-phenylazetidine-1-carbonyl]phenyl]urea?
1-cyclopropyl-3-[4-[(2R)-2-phenylazetidine-1-carbonyl]phenyl]urea has a molecular weight of 335.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-[(2R)-2-phenylazetidine-1-carbonyl]phenyl]urea is sourced from PubChem (CID 94468030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).