benzyl N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]carbamate

C24H31N3O3 — CID 23933477

IUPACbenzyl N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]carbamate
SMILESCC(C)(CN)CN(Cc1ccc(NC(=O)OCc2ccccc2)cc1)C(=O)C1CC1
InChIInChI=1S/C24H31N3O3/c1-24(2,16-25)17-27(22(28)20-10-11-20)14-18-8-12-21(13-9-18)26-23(29)30-15-19-6-4-3-5-7-19/h3-9,12-13,20H,10-11,14-17,25H2,1-2H3,(H,26,29)
InChIKeyHUIFOMJRPYDDMM-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.16
Rot. Bonds9

About benzyl N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]carbamate

benzyl N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]carbamate (PubChem CID 23933477) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is benzyl N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]carbamate
PubChem CID23933477
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Namebenzyl N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]carbamate
SMILESCC(C)(CN)CN(Cc1ccc(NC(=O)OCc2ccccc2)cc1)C(=O)C1CC1
InChIInChI=1S/C24H31N3O3/c1-24(2,16-25)17-27(22(28)20-10-11-20)14-18-8-12-21(13-9-18)26-23(29)30-15-19-6-4-3-5-7-19/h3-9,12-13,20H,10-11,14-17,25H2,1-2H3,(H,26,29)
InChIKeyHUIFOMJRPYDDMM-UHFFFAOYSA-N
XLogP4.16
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-tert-butylbenzamide
CID 23829184
N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-2-bromobenzamide
CID 23824744
[4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate
CID 67154778
N-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide
CID 23880381
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
benzyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 5001228
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
benzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate
CID 67901820
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
benzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate
CID 112502827
benzyl N-[4-[4-(dimethylamino)cyclohexen-1-yl]phenyl]carbamate
CID 155683348
N,N-dibenzylcyclohexanecarboxamide
CID 1371794

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]carbamate?
The IUPAC name of benzyl N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]carbamate (CID 23933477) is benzyl N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]carbamate?
The canonical SMILES for benzyl N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]carbamate is CC(C)(CN)CN(Cc1ccc(NC(=O)OCc2ccccc2)cc1)C(=O)C1CC1.
What is the InChIKey of benzyl N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]carbamate?
The InChIKey is HUIFOMJRPYDDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-24(2,16-25)17-27(22(28)20-10-11-20)14-18-8-12-21(13-9-18)26-23(29)30-15-19-6-4-3-5-7-19/h3-9,12-13,20H,10-11,14-17,25H2,1-2H3,(H,26,29).
What are the key properties of benzyl N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]carbamate?
benzyl N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]carbamate has a molecular weight of 409.53 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]carbamate is sourced from PubChem (CID 23933477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).