propan-2-yl N-[3-[methoxy(methyl)amino]-3-oxo-1-phenylpropyl]carbamate

C15H22N2O4 — CID 143481494

IUPACpropan-2-yl N-[3-[methoxy(methyl)amino]-3-oxo-1-phenylpropyl]carbamate
SMILESCON(C)C(=O)CC(NC(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-11(2)21-15(19)16-13(10-14(18)17(3)20-4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,16,19)
InChIKeyBETGBCMJPBTQAZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.27
Rot. Bonds6

About propan-2-yl N-[3-[methoxy(methyl)amino]-3-oxo-1-phenylpropyl]carbamate

propan-2-yl N-[3-[methoxy(methyl)amino]-3-oxo-1-phenylpropyl]carbamate (PubChem CID 143481494) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is propan-2-yl N-[3-[methoxy(methyl)amino]-3-oxo-1-phenylpropyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-[methoxy(methyl)amino]-3-oxo-1-phenylpropyl]carbamate
PubChem CID143481494
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namepropan-2-yl N-[3-[methoxy(methyl)amino]-3-oxo-1-phenylpropyl]carbamate
SMILESCON(C)C(=O)CC(NC(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-11(2)21-15(19)16-13(10-14(18)17(3)20-4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,16,19)
InChIKeyBETGBCMJPBTQAZ-UHFFFAOYSA-N
XLogP2.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N-methyl-3-phenylbutanamide
CID 22612044
ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate
CID 126003498
(3R)-3-(carbamoylamino)-N-methyl-3-phenyl-N-[(1R)-1-phenylethyl]propanamide
CID 41327189
methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate
CID 62115268
(2S)-2-phenyl-2-(propan-2-yloxycarbonylamino)acetic acid
CID 104897066
3-(ethoxycarbonylamino)-3-phenylpropanoic acid;hydrochloride
CID 174330958
methyl 3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-propan-2-ylamino]propanoate
CID 97017592
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
2-[(3-acetamido-3-phenylpropanoyl)-methylamino]propanoic acid
CID 119209228
N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide
CID 142268155
propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 119274327
tert-butyl N-[3-[2-(dimethylamino)anilino]-3-oxo-1-phenylpropyl]carbamate
CID 71845559

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-[methoxy(methyl)amino]-3-oxo-1-phenylpropyl]carbamate?
The IUPAC name of propan-2-yl N-[3-[methoxy(methyl)amino]-3-oxo-1-phenylpropyl]carbamate (CID 143481494) is propan-2-yl N-[3-[methoxy(methyl)amino]-3-oxo-1-phenylpropyl]carbamate.
What is the SMILES notation for propan-2-yl N-[3-[methoxy(methyl)amino]-3-oxo-1-phenylpropyl]carbamate?
The canonical SMILES for propan-2-yl N-[3-[methoxy(methyl)amino]-3-oxo-1-phenylpropyl]carbamate is CON(C)C(=O)CC(NC(=O)OC(C)C)c1ccccc1.
What is the InChIKey of propan-2-yl N-[3-[methoxy(methyl)amino]-3-oxo-1-phenylpropyl]carbamate?
The InChIKey is BETGBCMJPBTQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(2)21-15(19)16-13(10-14(18)17(3)20-4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,16,19).
What are the key properties of propan-2-yl N-[3-[methoxy(methyl)amino]-3-oxo-1-phenylpropyl]carbamate?
propan-2-yl N-[3-[methoxy(methyl)amino]-3-oxo-1-phenylpropyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-[methoxy(methyl)amino]-3-oxo-1-phenylpropyl]carbamate is sourced from PubChem (CID 143481494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).