[3-[[3-(2-amino-2-ethylcyclopropyl)phenyl]carbamoyl]phenyl]carbamic acid

C19H21N3O3 — CID 155044907

IUPAC[3-[[3-(2-amino-2-ethylcyclopropyl)phenyl]carbamoyl]phenyl]carbamic acid
SMILESCCC1(N)CC1c1cccc(NC(=O)c2cccc(NC(=O)O)c2)c1
InChIInChI=1S/C19H21N3O3/c1-2-19(20)11-16(19)12-5-3-7-14(9-12)21-17(23)13-6-4-8-15(10-13)22-18(24)25/h3-10,16,22H,2,11,20H2,1H3,(H,21,23)(H,24,25)
InChIKeyMAQSKFPCHKTPLW-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.62
Rot. Bonds5

About [3-[[3-(2-amino-2-ethylcyclopropyl)phenyl]carbamoyl]phenyl]carbamic acid

[3-[[3-(2-amino-2-ethylcyclopropyl)phenyl]carbamoyl]phenyl]carbamic acid (PubChem CID 155044907) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is [3-[[3-(2-amino-2-ethylcyclopropyl)phenyl]carbamoyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[3-[[3-(2-amino-2-ethylcyclopropyl)phenyl]carbamoyl]phenyl]carbamic acid
PubChem CID155044907
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name[3-[[3-(2-amino-2-ethylcyclopropyl)phenyl]carbamoyl]phenyl]carbamic acid
SMILESCCC1(N)CC1c1cccc(NC(=O)c2cccc(NC(=O)O)c2)c1
InChIInChI=1S/C19H21N3O3/c1-2-19(20)11-16(19)12-5-3-7-14(9-12)21-17(23)13-6-4-8-15(10-13)22-18(24)25/h3-10,16,22H,2,11,20H2,1H3,(H,21,23)(H,24,25)
InChIKeyMAQSKFPCHKTPLW-UHFFFAOYSA-N
XLogP3.62
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide
CID 90205042
N-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide
CID 90212569
N-[4-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide
CID 74763834
N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]pyridine-4-carboxamide
CID 118483857
[3-[1-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]triazol-4-yl]phenyl]carbamic acid;hydrochloride
CID 90205135
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide
CID 118734108
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate
CID 46580788
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
ethyl (E)-3-[4-[(3-acetamidobenzoyl)amino]phenyl]prop-2-enoate
CID 27902085
[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(2-amino-2-ethylcyclopropyl)phenyl]carbamoyl]phenyl]carbamic acid?
The IUPAC name of [3-[[3-(2-amino-2-ethylcyclopropyl)phenyl]carbamoyl]phenyl]carbamic acid (CID 155044907) is [3-[[3-(2-amino-2-ethylcyclopropyl)phenyl]carbamoyl]phenyl]carbamic acid.
What is the SMILES notation for [3-[[3-(2-amino-2-ethylcyclopropyl)phenyl]carbamoyl]phenyl]carbamic acid?
The canonical SMILES for [3-[[3-(2-amino-2-ethylcyclopropyl)phenyl]carbamoyl]phenyl]carbamic acid is CCC1(N)CC1c1cccc(NC(=O)c2cccc(NC(=O)O)c2)c1.
What is the InChIKey of [3-[[3-(2-amino-2-ethylcyclopropyl)phenyl]carbamoyl]phenyl]carbamic acid?
The InChIKey is MAQSKFPCHKTPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-19(20)11-16(19)12-5-3-7-14(9-12)21-17(23)13-6-4-8-15(10-13)22-18(24)25/h3-10,16,22H,2,11,20H2,1H3,(H,21,23)(H,24,25).
What are the key properties of [3-[[3-(2-amino-2-ethylcyclopropyl)phenyl]carbamoyl]phenyl]carbamic acid?
[3-[[3-(2-amino-2-ethylcyclopropyl)phenyl]carbamoyl]phenyl]carbamic acid has a molecular weight of 339.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(2-amino-2-ethylcyclopropyl)phenyl]carbamoyl]phenyl]carbamic acid is sourced from PubChem (CID 155044907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).