1-(1-amino-2-methylpropan-2-yl)-3-methyl-1-naphthalen-1-yl-3-(2-phenylethyl)urea

C24H29N3O — CID 22744730

IUPAC1-(1-amino-2-methylpropan-2-yl)-3-methyl-1-naphthalen-1-yl-3-(2-phenylethyl)urea
SMILESCN(CCc1ccccc1)C(=O)N(c1cccc2ccccc12)C(C)(C)CN
InChIInChI=1S/C24H29N3O/c1-24(2,18-25)27(22-15-9-13-20-12-7-8-14-21(20)22)23(28)26(3)17-16-19-10-5-4-6-11-19/h4-15H,16-18,25H2,1-3H3
InChIKeyDIUJQKKSFJHXJO-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.68
Rot. Bonds6

About 1-(1-amino-2-methylpropan-2-yl)-3-methyl-1-naphthalen-1-yl-3-(2-phenylethyl)urea

1-(1-amino-2-methylpropan-2-yl)-3-methyl-1-naphthalen-1-yl-3-(2-phenylethyl)urea (PubChem CID 22744730) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-(1-amino-2-methylpropan-2-yl)-3-methyl-1-naphthalen-1-yl-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(1-amino-2-methylpropan-2-yl)-3-methyl-1-naphthalen-1-yl-3-(2-phenylethyl)urea
PubChem CID22744730
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name1-(1-amino-2-methylpropan-2-yl)-3-methyl-1-naphthalen-1-yl-3-(2-phenylethyl)urea
SMILESCN(CCc1ccccc1)C(=O)N(c1cccc2ccccc12)C(C)(C)CN
InChIInChI=1S/C24H29N3O/c1-24(2,18-25)27(22-15-9-13-20-12-7-8-14-21(20)22)23(28)26(3)17-16-19-10-5-4-6-11-19/h4-15H,16-18,25H2,1-3H3
InChIKeyDIUJQKKSFJHXJO-UHFFFAOYSA-N
XLogP4.68
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 119706013
2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 28759347
2-amino-N-naphthalen-1-yl-N-[2-(4-phenylphenyl)ethyl]acetamide
CID 10452377
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247
1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea
CID 11403549
N,2,2-trimethyl-N-(2-phenylethyl)propanethioamide
CID 12606841
N,2-dimethyl-2-(methylamino)-N-(2-phenylethyl)propanamide
CID 62846352
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide
CID 65487462
3-amino-2-hydroxy-N-methyl-N-(2-phenylethyl)propanamide
CID 115180819
3-[methyl(2-phenylethyl)carbamoyl]benzoic acid
CID 65487165
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide
CID 77070473

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-3-methyl-1-naphthalen-1-yl-3-(2-phenylethyl)urea?
The IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-3-methyl-1-naphthalen-1-yl-3-(2-phenylethyl)urea (CID 22744730) is 1-(1-amino-2-methylpropan-2-yl)-3-methyl-1-naphthalen-1-yl-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(1-amino-2-methylpropan-2-yl)-3-methyl-1-naphthalen-1-yl-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(1-amino-2-methylpropan-2-yl)-3-methyl-1-naphthalen-1-yl-3-(2-phenylethyl)urea is CN(CCc1ccccc1)C(=O)N(c1cccc2ccccc12)C(C)(C)CN.
What is the InChIKey of 1-(1-amino-2-methylpropan-2-yl)-3-methyl-1-naphthalen-1-yl-3-(2-phenylethyl)urea?
The InChIKey is DIUJQKKSFJHXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-24(2,18-25)27(22-15-9-13-20-12-7-8-14-21(20)22)23(28)26(3)17-16-19-10-5-4-6-11-19/h4-15H,16-18,25H2,1-3H3.
What are the key properties of 1-(1-amino-2-methylpropan-2-yl)-3-methyl-1-naphthalen-1-yl-3-(2-phenylethyl)urea?
1-(1-amino-2-methylpropan-2-yl)-3-methyl-1-naphthalen-1-yl-3-(2-phenylethyl)urea has a molecular weight of 375.52 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylpropan-2-yl)-3-methyl-1-naphthalen-1-yl-3-(2-phenylethyl)urea is sourced from PubChem (CID 22744730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).