1-[(2S)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-yl]-3-naphthalen-1-ylurea

C24H28N2O3 — CID 1204851

IUPAC1-[(2S)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-yl]-3-naphthalen-1-ylurea
SMILESCC[C@@H](Cc1cc(OC)c(C)cc1OC)NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C24H28N2O3/c1-5-19(14-18-15-22(28-3)16(2)13-23(18)29-4)25-24(27)26-21-12-8-10-17-9-6-7-11-20(17)21/h6-13,15,19H,5,14H2,1-4H3,(H2,25,26,27)/t19-/m0/s1
InChIKeyCSVCUIIUIQIYAS-IBGZPJMESA-N
MW392.50 g/mol
LogP5.31
Rot. Bonds7

About 1-[(2S)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-yl]-3-naphthalen-1-ylurea

1-[(2S)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-yl]-3-naphthalen-1-ylurea (PubChem CID 1204851) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[(2S)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-yl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[(2S)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-yl]-3-naphthalen-1-ylurea
PubChem CID1204851
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-[(2S)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-yl]-3-naphthalen-1-ylurea
SMILESCC[C@@H](Cc1cc(OC)c(C)cc1OC)NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C24H28N2O3/c1-5-19(14-18-15-22(28-3)16(2)13-23(18)29-4)25-24(27)26-21-12-8-10-17-9-6-7-11-20(17)21/h6-13,15,19H,5,14H2,1-4H3,(H2,25,26,27)/t19-/m0/s1
InChIKeyCSVCUIIUIQIYAS-IBGZPJMESA-N
XLogP5.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 8551611
1-[(2S)-butan-2-yl]-3-naphthalen-1-ylurea
CID 2241028
(2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide
CID 30379357
(2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide
CID 52506002
1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea
CID 60615932
2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
CID 16913160
N-[1-(4-methoxy-3-methylphenyl)propyl]-3-naphthalen-1-ylpropanamide
CID 133161421
N-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide
CID 108523122
(2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide
CID 99796982
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968883
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-yl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[(2S)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-yl]-3-naphthalen-1-ylurea (CID 1204851) is 1-[(2S)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-yl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[(2S)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-yl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[(2S)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-yl]-3-naphthalen-1-ylurea is CC[C@@H](Cc1cc(OC)c(C)cc1OC)NC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-[(2S)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-yl]-3-naphthalen-1-ylurea?
The InChIKey is CSVCUIIUIQIYAS-IBGZPJMESA-N. The full InChI is InChI=1S/C24H28N2O3/c1-5-19(14-18-15-22(28-3)16(2)13-23(18)29-4)25-24(27)26-21-12-8-10-17-9-6-7-11-20(17)21/h6-13,15,19H,5,14H2,1-4H3,(H2,25,26,27)/t19-/m0/s1.
What are the key properties of 1-[(2S)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-yl]-3-naphthalen-1-ylurea?
1-[(2S)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-yl]-3-naphthalen-1-ylurea has a molecular weight of 392.50 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-yl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 1204851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).