1-[4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenyl]-3-propan-2-ylurea

C23H27N3O2 — CID 47052745

IUPAC1-[4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenyl]-3-propan-2-ylurea
SMILESCOc1ccc2cc(CNCc3ccc(NC(=O)NC(C)C)cc3)ccc2c1
InChIInChI=1S/C23H27N3O2/c1-16(2)25-23(27)26-21-9-5-17(6-10-21)14-24-15-18-4-7-20-13-22(28-3)11-8-19(20)12-18/h4-13,16,24H,14-15H2,1-3H3,(H2,25,26,27)
InChIKeyYICNRYFNBSIYTM-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.67
Rot. Bonds7

About 1-[4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenyl]-3-propan-2-ylurea

1-[4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenyl]-3-propan-2-ylurea (PubChem CID 47052745) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenyl]-3-propan-2-ylurea
PubChem CID47052745
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-[4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenyl]-3-propan-2-ylurea
SMILESCOc1ccc2cc(CNCc3ccc(NC(=O)NC(C)C)cc3)ccc2c1
InChIInChI=1S/C23H27N3O2/c1-16(2)25-23(27)26-21-9-5-17(6-10-21)14-24-15-18-4-7-20-13-22(28-3)11-8-19(20)12-18/h4-13,16,24H,14-15H2,1-3H3,(H2,25,26,27)
InChIKeyYICNRYFNBSIYTM-UHFFFAOYSA-N
XLogP4.67
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1-[4-[[(3-ethoxyphenyl)methylamino]methyl]phenyl]-3-propan-2-ylurea
CID 47052758
4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide
CID 175213138
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 48503063
4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54837767
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
2-naphthalen-2-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38196427
N-[4-[1-[(6-methoxynaphthalen-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 47025390
4-[(6-methoxynaphthalen-2-yl)methylamino]butanoic acid
CID 60782976
(2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate
CID 7647483
1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]-3-propan-2-ylurea
CID 47052737

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenyl]-3-propan-2-ylurea (CID 47052745) is 1-[4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenyl]-3-propan-2-ylurea is COc1ccc2cc(CNCc3ccc(NC(=O)NC(C)C)cc3)ccc2c1.
What is the InChIKey of 1-[4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenyl]-3-propan-2-ylurea?
The InChIKey is YICNRYFNBSIYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16(2)25-23(27)26-21-9-5-17(6-10-21)14-24-15-18-4-7-20-13-22(28-3)11-8-19(20)12-18/h4-13,16,24H,14-15H2,1-3H3,(H2,25,26,27).
What are the key properties of 1-[4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenyl]-3-propan-2-ylurea?
1-[4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenyl]-3-propan-2-ylurea has a molecular weight of 377.49 g/mol, XLogP of 4.67, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 47052745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).