[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium

C16H26N3O2+ — CID 9132326

IUPAC[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
SMILESCCCNC(=O)NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)C
InChIInChI=1S/C16H25N3O2/c1-4-10-17-16(21)19-14(20)11-18-15(12(2)3)13-8-6-5-7-9-13/h5-9,12,15,18H,4,10-11H2,1-3H3,(H2,17,19,20,21)/p+1/t15-/m1/s1
InChIKeyGWIFIQDZCFGLRB-OAHLLOKOSA-O
MW292.40 g/mol
LogP1.18
Rot. Bonds7

About [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium

[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium (PubChem CID 9132326) has the molecular formula C16H26N3O2+ and a molecular weight of 292.40 g/mol. Its IUPAC name is [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium.

Molecular Properties

Compound Name[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
PubChem CID9132326
Molecular FormulaC16H26N3O2+
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
SMILESCCCNC(=O)NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)C
InChIInChI=1S/C16H25N3O2/c1-4-10-17-16(21)19-14(20)11-18-15(12(2)3)13-8-6-5-7-9-13/h5-9,12,15,18H,4,10-11H2,1-3H3,(H2,17,19,20,21)/p+1/t15-/m1/s1
InChIKeyGWIFIQDZCFGLRB-OAHLLOKOSA-O
XLogP1.18
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132137
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132135
[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 8720398
[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 9131705
benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
CID 8545445
[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9396559
[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8834303
[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8923262
[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9133008
[2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131816
[2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131601
[2-(3,5-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131666

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium?
The IUPAC name of [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium (CID 9132326) is [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium.
What is the SMILES notation for [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium?
The canonical SMILES for [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium is CCCNC(=O)NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)C.
What is the InChIKey of [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium?
The InChIKey is GWIFIQDZCFGLRB-OAHLLOKOSA-O. The full InChI is InChI=1S/C16H25N3O2/c1-4-10-17-16(21)19-14(20)11-18-15(12(2)3)13-8-6-5-7-9-13/h5-9,12,15,18H,4,10-11H2,1-3H3,(H2,17,19,20,21)/p+1/t15-/m1/s1.
What are the key properties of [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium?
[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium has a molecular weight of 292.40 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium is sourced from PubChem (CID 9132326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).