benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate

C19H21N3O3 — CID 103392870

IUPACbenzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate
SMILESNC(=O)c1cccc(NC2CC(NC(=O)OCc3ccccc3)C2)c1
InChIInChI=1S/C19H21N3O3/c20-18(23)14-7-4-8-15(9-14)21-16-10-17(11-16)22-19(24)25-12-13-5-2-1-3-6-13/h1-9,16-17,21H,10-12H2,(H2,20,23)(H,22,24)
InChIKeyBVQGPOVUYOEVBQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.65
Rot. Bonds6

About benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate

benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate (PubChem CID 103392870) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate
PubChem CID103392870
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Namebenzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate
SMILESNC(=O)c1cccc(NC2CC(NC(=O)OCc3ccccc3)C2)c1
InChIInChI=1S/C19H21N3O3/c20-18(23)14-7-4-8-15(9-14)21-16-10-17(11-16)22-19(24)25-12-13-5-2-1-3-6-13/h1-9,16-17,21H,10-12H2,(H2,20,23)(H,22,24)
InChIKeyBVQGPOVUYOEVBQ-UHFFFAOYSA-N
XLogP2.65
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-(3-iodoanilino)cyclobutyl]carbamate
CID 103392947
benzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate
CID 103393137
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate
CID 103392779
benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate
CID 103393221
benzyl N-[3-(3-bromo-4-methoxyanilino)cyclobutyl]carbamate
CID 103393510
benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate
CID 103392743
benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate
CID 103392797
benzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate
CID 103393058
4-fluoro-3-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]benzoic acid
CID 103393121
benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103393638
benzyl N-[3-[(6-chloro-2-pyridinyl)amino]cyclobutyl]carbamate
CID 103393660

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate (CID 103392870) is benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate is NC(=O)c1cccc(NC2CC(NC(=O)OCc3ccccc3)C2)c1.
What is the InChIKey of benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate?
The InChIKey is BVQGPOVUYOEVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c20-18(23)14-7-4-8-15(9-14)21-16-10-17(11-16)22-19(24)25-12-13-5-2-1-3-6-13/h1-9,16-17,21H,10-12H2,(H2,20,23)(H,22,24).
What are the key properties of benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate?
benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate has a molecular weight of 339.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate is sourced from PubChem (CID 103392870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).