benzyl N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]carbamate

C20H22N2O3 — CID 2974355

IUPACbenzyl N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESO=C(NC(Cc1ccccc1)C(=O)NC1CC1)OCc1ccccc1
InChIInChI=1S/C20H22N2O3/c23-19(21-17-11-12-17)18(13-15-7-3-1-4-8-15)22-20(24)25-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,21,23)(H,22,24)
InChIKeyUCVHXIIKDUTUNK-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.80
Rot. Bonds7

About benzyl N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]carbamate

benzyl N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 2974355) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is benzyl N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID2974355
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namebenzyl N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESO=C(NC(Cc1ccccc1)C(=O)NC1CC1)OCc1ccccc1
InChIInChI=1S/C20H22N2O3/c23-19(21-17-11-12-17)18(13-15-7-3-1-4-8-15)22-20(24)25-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,21,23)(H,22,24)
InChIKeyUCVHXIIKDUTUNK-UHFFFAOYSA-N
XLogP2.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]carbamate (CID 2974355) is benzyl N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]carbamate is O=C(NC(Cc1ccccc1)C(=O)NC1CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is UCVHXIIKDUTUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(21-17-11-12-17)18(13-15-7-3-1-4-8-15)22-20(24)25-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,21,23)(H,22,24).
What are the key properties of benzyl N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]carbamate?
benzyl N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 338.41 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 2974355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).