1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea

C21H21N3O4 — CID 26871400

IUPAC1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea
SMILESCOc1ccccc1NC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1
InChIInChI=1S/C21H21N3O4/c1-14(28-17-12-11-15-7-3-4-8-16(15)13-17)20(25)23-24-21(26)22-18-9-5-6-10-19(18)27-2/h3-14H,1-2H3,(H,23,25)(H2,22,24,26)/t14-/m0/s1
InChIKeyQLTPFCPWAZGCMR-AWEZNQCLSA-N
MW379.42 g/mol
LogP3.47
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea

1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea (PubChem CID 26871400) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea
PubChem CID26871400
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea
SMILESCOc1ccccc1NC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1
InChIInChI=1S/C21H21N3O4/c1-14(28-17-12-11-15-7-3-4-8-16(15)13-17)20(25)23-24-21(26)22-18-9-5-6-10-19(18)27-2/h3-14H,1-2H3,(H,23,25)(H2,22,24,26)/t14-/m0/s1
InChIKeyQLTPFCPWAZGCMR-AWEZNQCLSA-N
XLogP3.47
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101
1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea
CID 51980854
(2S)-N'-[(2R)-2-(2-methylphenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8757616
N'-[3-(2-methoxyphenyl)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 55342358
(2S)-N'-[(2R)-2-(2-chlorophenoxy)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8757659
2-(3,4-dimethylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 17340995
1-(3-chlorophenyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]urea
CID 8757601
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
(2R)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 29459815
2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 19203871
5-chloro-2-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003624

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea (CID 26871400) is 1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea is COc1ccccc1NC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea?
The InChIKey is QLTPFCPWAZGCMR-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14(28-17-12-11-15-7-3-4-8-16(15)13-17)20(25)23-24-21(26)22-18-9-5-6-10-19(18)27-2/h3-14H,1-2H3,(H,23,25)(H2,22,24,26)/t14-/m0/s1.
What are the key properties of 1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea?
1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea has a molecular weight of 379.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea is sourced from PubChem (CID 26871400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).