3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide

C27H33N3O2 — CID 42699211

IUPAC3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide
SMILESCCC(C)N(CCC(=O)Nc1ccc2ccccc2c1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C27H33N3O2/c1-5-20(4)30(27(32)29-24-13-10-21(11-14-24)19(2)3)17-16-26(31)28-25-15-12-22-8-6-7-9-23(22)18-25/h6-15,18-20H,5,16-17H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyQDQPSCDIULHLEH-UHFFFAOYSA-N
MW431.58 g/mol
LogP6.62
Rot. Bonds8

About 3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide

3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide (PubChem CID 42699211) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide
PubChem CID42699211
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide
SMILESCCC(C)N(CCC(=O)Nc1ccc2ccccc2c1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C27H33N3O2/c1-5-20(4)30(27(32)29-24-13-10-21(11-14-24)19(2)3)17-16-26(31)28-25-15-12-22-8-6-7-9-23(22)18-25/h6-15,18-20H,5,16-17H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyQDQPSCDIULHLEH-UHFFFAOYSA-N
XLogP6.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide
CID 42699212
N-butan-2-yl-2-chloro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide
CID 42699036
N-butan-2-yl-3-fluoro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide
CID 42699050
3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
CID 61184948
3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide
CID 113116226
1-butan-2-yl-3-(4-butan-2-ylphenyl)-1-propylurea
CID 142110779
3-[acetyl(butan-2-yl)amino]-N-(3-chlorophenyl)propanamide
CID 113116225
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-naphthalen-2-ylacetamide
CID 30168762
3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 108795261
3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113123440
3-(ethylamino)-N-naphthalen-2-ylpropanamide
CID 62833227
ethyl 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]propanoate
CID 42697968

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide?
The IUPAC name of 3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide (CID 42699211) is 3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide is CCC(C)N(CCC(=O)Nc1ccc2ccccc2c1)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide?
The InChIKey is QDQPSCDIULHLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-5-20(4)30(27(32)29-24-13-10-21(11-14-24)19(2)3)17-16-26(31)28-25-15-12-22-8-6-7-9-23(22)18-25/h6-15,18-20H,5,16-17H2,1-4H3,(H,28,31)(H,29,32).
What are the key properties of 3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide?
3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide has a molecular weight of 431.58 g/mol, XLogP of 6.62, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 42699211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).