[3-(cyclopropylcarbamoylamino)phenyl] N-naphthalen-1-ylcarbamate

C21H19N3O3 — CID 23469862

IUPAC[3-(cyclopropylcarbamoylamino)phenyl] N-naphthalen-1-ylcarbamate
SMILESO=C(Nc1cccc(OC(=O)Nc2cccc3ccccc23)c1)NC1CC1
InChIInChI=1S/C21H19N3O3/c25-20(22-15-11-12-15)23-16-7-4-8-17(13-16)27-21(26)24-19-10-3-6-14-5-1-2-9-18(14)19/h1-10,13,15H,11-12H2,(H,24,26)(H2,22,23,25)
InChIKeyNMWIMPADYWQVAW-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.73
Rot. Bonds4

About [3-(cyclopropylcarbamoylamino)phenyl] N-naphthalen-1-ylcarbamate

[3-(cyclopropylcarbamoylamino)phenyl] N-naphthalen-1-ylcarbamate (PubChem CID 23469862) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is [3-(cyclopropylcarbamoylamino)phenyl] N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Name[3-(cyclopropylcarbamoylamino)phenyl] N-naphthalen-1-ylcarbamate
PubChem CID23469862
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name[3-(cyclopropylcarbamoylamino)phenyl] N-naphthalen-1-ylcarbamate
SMILESO=C(Nc1cccc(OC(=O)Nc2cccc3ccccc23)c1)NC1CC1
InChIInChI=1S/C21H19N3O3/c25-20(22-15-11-12-15)23-16-7-4-8-17(13-16)27-21(26)24-19-10-3-6-14-5-1-2-9-18(14)19/h1-10,13,15H,11-12H2,(H,24,26)(H2,22,23,25)
InChIKeyNMWIMPADYWQVAW-UHFFFAOYSA-N
XLogP4.73
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate
CID 174753311
1-naphthalen-1-yl-3-piperidin-4-ylurea
CID 16790595
[3-(cycloheptylcarbamoylamino)phenyl] acetate
CID 108865301
[3-(cyclododecylcarbamoylamino)phenyl] acetate
CID 108865173
4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122084514
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633505
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
1-[3-(cyanomethoxy)phenyl]-3-(4-methylcyclohexyl)urea
CID 51116767
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844
[(3R,3aR,6R,6aR)-3-(phenylcarbamoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate
CID 163117820

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylcarbamoylamino)phenyl] N-naphthalen-1-ylcarbamate?
The IUPAC name of [3-(cyclopropylcarbamoylamino)phenyl] N-naphthalen-1-ylcarbamate (CID 23469862) is [3-(cyclopropylcarbamoylamino)phenyl] N-naphthalen-1-ylcarbamate.
What is the SMILES notation for [3-(cyclopropylcarbamoylamino)phenyl] N-naphthalen-1-ylcarbamate?
The canonical SMILES for [3-(cyclopropylcarbamoylamino)phenyl] N-naphthalen-1-ylcarbamate is O=C(Nc1cccc(OC(=O)Nc2cccc3ccccc23)c1)NC1CC1.
What is the InChIKey of [3-(cyclopropylcarbamoylamino)phenyl] N-naphthalen-1-ylcarbamate?
The InChIKey is NMWIMPADYWQVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-20(22-15-11-12-15)23-16-7-4-8-17(13-16)27-21(26)24-19-10-3-6-14-5-1-2-9-18(14)19/h1-10,13,15H,11-12H2,(H,24,26)(H2,22,23,25).
What are the key properties of [3-(cyclopropylcarbamoylamino)phenyl] N-naphthalen-1-ylcarbamate?
[3-(cyclopropylcarbamoylamino)phenyl] N-naphthalen-1-ylcarbamate has a molecular weight of 361.40 g/mol, XLogP of 4.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylcarbamoylamino)phenyl] N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 23469862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).