benzyl N-[[2-methyl-2-(propan-2-ylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate

C23H28N2O3 — CID 56947089

IUPACbenzyl N-[[2-methyl-2-(propan-2-ylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate
SMILESCC(C)NC(=O)C1(C)CC1C(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H28N2O3/c1-16(2)24-21(26)23(3)14-19(23)20(18-12-8-5-9-13-18)25-22(27)28-15-17-10-6-4-7-11-17/h4-13,16,19-20H,14-15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyONJDWAYKGBYQHM-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.20
Rot. Bonds7

About benzyl N-[[2-methyl-2-(propan-2-ylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate

benzyl N-[[2-methyl-2-(propan-2-ylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate (PubChem CID 56947089) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is benzyl N-[[2-methyl-2-(propan-2-ylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[2-methyl-2-(propan-2-ylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate
PubChem CID56947089
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Namebenzyl N-[[2-methyl-2-(propan-2-ylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate
SMILESCC(C)NC(=O)C1(C)CC1C(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H28N2O3/c1-16(2)24-21(26)23(3)14-19(23)20(18-12-8-5-9-13-18)25-22(27)28-15-17-10-6-4-7-11-17/h4-13,16,19-20H,14-15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyONJDWAYKGBYQHM-UHFFFAOYSA-N
XLogP4.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Mdl-28170
CID 72430
Benzyl 1-phenylethylcarbamate
CID 9837961
Phenylmethyl N-((1S)-1-(((1-formyl-2-phenylethyl)amino)carbonyl)-2-methylpropyl)carbamate
CID 11199915
benzyl N-[(R)-[(1S,2S)-2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl](phenyl)methyl]carbamate
CID 56947088
benzyl 1-((4S)-4-(cyclobutanecarboxamido)-4-phenylbutan-2-yl)piperidin-4-yl(ethyl)carbamate
CID 44590752
Nalpha-[(benzyloxy)carbonyl]-N-cyclopropylphenylalaninamide
CID 2974355
[2''-(3-Methyl-butylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 9932430
[(S)-1-((S)-1-Benzyl-2-oxo-ethylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester
CID 10216098
(S)-benzyl 1-(benzylamino)-8-(hydroxyamino)-1,8-dioxooctan-2-ylcarbamate
CID 11201165
Carbobenzyloxy-L-phenylalanyl-L-leucinamide
CID 13386706
methyl (2R)-2-[(1R,2S)-2-methyl-2-[(S)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropyl]propanoate
CID 3247271
methyl (2R)-2-[(1S,2R)-2-methyl-2-[(R)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropyl]propanoate
CID 3247272

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[2-methyl-2-(propan-2-ylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate?
The IUPAC name of benzyl N-[[2-methyl-2-(propan-2-ylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate (CID 56947089) is benzyl N-[[2-methyl-2-(propan-2-ylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate.
What is the SMILES notation for benzyl N-[[2-methyl-2-(propan-2-ylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate?
The canonical SMILES for benzyl N-[[2-methyl-2-(propan-2-ylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate is CC(C)NC(=O)C1(C)CC1C(NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[[2-methyl-2-(propan-2-ylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate?
The InChIKey is ONJDWAYKGBYQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16(2)24-21(26)23(3)14-19(23)20(18-12-8-5-9-13-18)25-22(27)28-15-17-10-6-4-7-11-17/h4-13,16,19-20H,14-15H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of benzyl N-[[2-methyl-2-(propan-2-ylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate?
benzyl N-[[2-methyl-2-(propan-2-ylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate has a molecular weight of 380.49 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[2-methyl-2-(propan-2-ylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate is sourced from PubChem (CID 56947089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).