2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide

C15H21N3O2 — CID 95583258

IUPAC2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide
SMILESCC(C)(CNC(=O)N[C@H]1C[C@@H]1c1ccccc1)C(N)=O
InChIInChI=1S/C15H21N3O2/c1-15(2,13(16)19)9-17-14(20)18-12-8-11(12)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H2,16,19)(H2,17,18,20)/t11-,12+/m1/s1
InChIKeyXIJJBEWPWCCHJH-NEPJUHHUSA-N
MW275.35 g/mol
LogP1.35
Rot. Bonds5

About 2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide

2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide (PubChem CID 95583258) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide
PubChem CID95583258
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide
SMILESCC(C)(CNC(=O)N[C@H]1C[C@@H]1c1ccccc1)C(N)=O
InChIInChI=1S/C15H21N3O2/c1-15(2,13(16)19)9-17-14(20)18-12-8-11(12)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H2,16,19)(H2,17,18,20)/t11-,12+/m1/s1
InChIKeyXIJJBEWPWCCHJH-NEPJUHHUSA-N
XLogP1.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylbutan-2-yl)cyclopropanecarboxamide
CID 2931988
1-(1-Acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea
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1-Butan-2-yl-3-(3-phenylpropyl)urea
CID 45366530
1-(trans-2-Phenylcyclopropyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49782571
1-[(2S)-butan-2-yl]-3-(3-phenylpropyl)urea
CID 93534208
N-[(1-phenylpropan-2-yl)carbamoyl]acetamide
CID 3745242
N-(1-benzylpropyl)cyclopropanecarboxamide
CID 2975078
N-[(1S,2R)-2-phenylcyclopropyl]acetamide
CID 657469
N-acetyl-tranylcypromine
CID 583384
4-(ethylcarbamoylamino)-N-(2-phenylethyl)butanamide
CID 155560878
1-(cyclohexylmethyl)-3-[(1S,2R)-2-phenylcyclopropyl]urea
CID 44589310
3-Amino-N-[(2R)-2-amino-3-phenylpropyl]propionamide
CID 42645285

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide (CID 95583258) is 2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide is CC(C)(CNC(=O)N[C@H]1C[C@@H]1c1ccccc1)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide?
The InChIKey is XIJJBEWPWCCHJH-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,13(16)19)9-17-14(20)18-12-8-11(12)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H2,16,19)(H2,17,18,20)/t11-,12+/m1/s1.
What are the key properties of 2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide?
2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide has a molecular weight of 275.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide is sourced from PubChem (CID 95583258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).