1-ethyl-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-[(2R)-3-methylbutan-2-yl]urea

C19H32N2O2 — CID 52505199

IUPAC1-ethyl-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-[(2R)-3-methylbutan-2-yl]urea
SMILESCCN(C(=O)N[C@H](C)CCc1ccc(OC)cc1)[C@H](C)C(C)C
InChIInChI=1S/C19H32N2O2/c1-7-21(16(5)14(2)3)19(22)20-15(4)8-9-17-10-12-18(23-6)13-11-17/h10-16H,7-9H2,1-6H3,(H,20,22)/t15-,16-/m1/s1
InChIKeyDOAXDFABNOUSBZ-HZPDHXFCSA-N
MW320.48 g/mol
LogP4.09
Rot. Bonds8

About 1-ethyl-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-[(2R)-3-methylbutan-2-yl]urea

1-ethyl-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-[(2R)-3-methylbutan-2-yl]urea (PubChem CID 52505199) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-ethyl-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-[(2R)-3-methylbutan-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-[(2R)-3-methylbutan-2-yl]urea
PubChem CID52505199
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name1-ethyl-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-[(2R)-3-methylbutan-2-yl]urea
SMILESCCN(C(=O)N[C@H](C)CCc1ccc(OC)cc1)[C@H](C)C(C)C
InChIInChI=1S/C19H32N2O2/c1-7-21(16(5)14(2)3)19(22)20-15(4)8-9-17-10-12-18(23-6)13-11-17/h10-16H,7-9H2,1-6H3,(H,20,22)/t15-,16-/m1/s1
InChIKeyDOAXDFABNOUSBZ-HZPDHXFCSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-[(2R)-3-methylbutan-2-yl]urea with MolForge

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Related Compounds

ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate
CID 54351907
2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095
methyl (2S)-2-[4-(4-methoxyphenyl)butan-2-ylamino]-3-methylbutanoate
CID 43776073
1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide
CID 86855169
3-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-1,1-dimethylurea
CID 83107943
1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea
CID 95159972
2-[4-(4-methoxyphenyl)butan-2-ylamino]pentanoic acid
CID 65055651
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100
1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide
CID 119288107
5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684984
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-[(2R)-3-methylbutan-2-yl]urea?
The IUPAC name of 1-ethyl-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-[(2R)-3-methylbutan-2-yl]urea (CID 52505199) is 1-ethyl-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-[(2R)-3-methylbutan-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-[(2R)-3-methylbutan-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-[(2R)-3-methylbutan-2-yl]urea is CCN(C(=O)N[C@H](C)CCc1ccc(OC)cc1)[C@H](C)C(C)C.
What is the InChIKey of 1-ethyl-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-[(2R)-3-methylbutan-2-yl]urea?
The InChIKey is DOAXDFABNOUSBZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-7-21(16(5)14(2)3)19(22)20-15(4)8-9-17-10-12-18(23-6)13-11-17/h10-16H,7-9H2,1-6H3,(H,20,22)/t15-,16-/m1/s1.
What are the key properties of 1-ethyl-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-[(2R)-3-methylbutan-2-yl]urea?
1-ethyl-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-[(2R)-3-methylbutan-2-yl]urea has a molecular weight of 320.48 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-[(2R)-3-methylbutan-2-yl]urea is sourced from PubChem (CID 52505199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).