benzyl N-[4-[[4-(2-aminocyclopropyl)phenyl]carbamoyl]phenyl]carbamate

C24H23N3O3 — CID 164616646

IUPACbenzyl N-[4-[[4-(2-aminocyclopropyl)phenyl]carbamoyl]phenyl]carbamate
SMILESNC1CC1c1ccc(NC(=O)c2ccc(NC(=O)OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H23N3O3/c25-22-14-21(22)17-6-10-19(11-7-17)26-23(28)18-8-12-20(13-9-18)27-24(29)30-15-16-4-2-1-3-5-16/h1-13,21-22H,14-15,25H2,(H,26,28)(H,27,29)
InChIKeyYSHCPCIXRXSLEV-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.50
Rot. Bonds6

About benzyl N-[4-[[4-(2-aminocyclopropyl)phenyl]carbamoyl]phenyl]carbamate

benzyl N-[4-[[4-(2-aminocyclopropyl)phenyl]carbamoyl]phenyl]carbamate (PubChem CID 164616646) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is benzyl N-[4-[[4-(2-aminocyclopropyl)phenyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[[4-(2-aminocyclopropyl)phenyl]carbamoyl]phenyl]carbamate
PubChem CID164616646
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Namebenzyl N-[4-[[4-(2-aminocyclopropyl)phenyl]carbamoyl]phenyl]carbamate
SMILESNC1CC1c1ccc(NC(=O)c2ccc(NC(=O)OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H23N3O3/c25-22-14-21(22)17-6-10-19(11-7-17)26-23(28)18-8-12-20(13-9-18)27-24(29)30-15-16-4-2-1-3-5-16/h1-13,21-22H,14-15,25H2,(H,26,28)(H,27,29)
InChIKeyYSHCPCIXRXSLEV-UHFFFAOYSA-N
XLogP4.50
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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4-Phenylacetylamino-benzoic acid methyl ester
CID 669121
Ethyl 4-[(2-methylbenzoyl)amino]benzoate
CID 689910
4-[(Bicyclo[4.1.0]heptane-7-carbonyl)-amino]-benzoic acid ethyl ester
CID 579213
2-Phenylethyl 4-acetamidobenzoate
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methyl 4-[(N-phenylglycyl)amino]benzoate
CID 2969765
Phenylmethyl N-((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)carbamate
CID 5044
[4-(4-Amino-biphenyl-3-ylcarbamoyl)-benzyl]-carbamic acid benzyl ester
CID 25155955
benzyl N-[1-[4-(2-aminocyclopropyl)anilino]-1-oxo-3-phenylpropan-2-yl]carbamate;hydrochloride
CID 46830228
benzyl N-[1-[4-(2-aminocyclopropyl)anilino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 46830229
benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate
CID 46830231

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[[4-(2-aminocyclopropyl)phenyl]carbamoyl]phenyl]carbamate?
The IUPAC name of benzyl N-[4-[[4-(2-aminocyclopropyl)phenyl]carbamoyl]phenyl]carbamate (CID 164616646) is benzyl N-[4-[[4-(2-aminocyclopropyl)phenyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-[[4-(2-aminocyclopropyl)phenyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for benzyl N-[4-[[4-(2-aminocyclopropyl)phenyl]carbamoyl]phenyl]carbamate is NC1CC1c1ccc(NC(=O)c2ccc(NC(=O)OCc3ccccc3)cc2)cc1.
What is the InChIKey of benzyl N-[4-[[4-(2-aminocyclopropyl)phenyl]carbamoyl]phenyl]carbamate?
The InChIKey is YSHCPCIXRXSLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c25-22-14-21(22)17-6-10-19(11-7-17)26-23(28)18-8-12-20(13-9-18)27-24(29)30-15-16-4-2-1-3-5-16/h1-13,21-22H,14-15,25H2,(H,26,28)(H,27,29).
What are the key properties of benzyl N-[4-[[4-(2-aminocyclopropyl)phenyl]carbamoyl]phenyl]carbamate?
benzyl N-[4-[[4-(2-aminocyclopropyl)phenyl]carbamoyl]phenyl]carbamate has a molecular weight of 401.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[[4-(2-aminocyclopropyl)phenyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 164616646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).