2,2-dimethyl-3-[[(2R)-2-phenylbutyl]carbamoylamino]propanamide

C16H25N3O2 — CID 95570545

IUPAC2,2-dimethyl-3-[[(2R)-2-phenylbutyl]carbamoylamino]propanamide
SMILESCC[C@@H](CNC(=O)NCC(C)(C)C(N)=O)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-4-12(13-8-6-5-7-9-13)10-18-15(21)19-11-16(2,3)14(17)20/h5-9,12H,4,10-11H2,1-3H3,(H2,17,20)(H2,18,19,21)/t12-/m0/s1
InChIKeyZICIHCUMUSKUJP-LBPRGKRZSA-N
MW291.39 g/mol
LogP1.99
Rot. Bonds7

About 2,2-dimethyl-3-[[(2R)-2-phenylbutyl]carbamoylamino]propanamide

2,2-dimethyl-3-[[(2R)-2-phenylbutyl]carbamoylamino]propanamide (PubChem CID 95570545) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[(2R)-2-phenylbutyl]carbamoylamino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[[(2R)-2-phenylbutyl]carbamoylamino]propanamide
PubChem CID95570545
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2,2-dimethyl-3-[[(2R)-2-phenylbutyl]carbamoylamino]propanamide
SMILESCC[C@@H](CNC(=O)NCC(C)(C)C(N)=O)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-4-12(13-8-6-5-7-9-13)10-18-15(21)19-11-16(2,3)14(17)20/h5-9,12H,4,10-11H2,1-3H3,(H2,17,20)(H2,18,19,21)/t12-/m0/s1
InChIKeyZICIHCUMUSKUJP-LBPRGKRZSA-N
XLogP1.99
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylbutylurea
CID 137320233
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-phenylbutyl)urea
CID 111459062
2,2-dimethyl-3-(1-phenylethylamino)propanamide
CID 115667918
3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide
CID 114167195
3-[[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]methyl]pentanoic acid
CID 114167594
(2S)-3-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-hydroxypropanoic acid
CID 106279144
3-amino-3-phenyl-N-(2-phenylbutyl)propanamide
CID 119949049
3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid
CID 62878856
methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate
CID 106275985
1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea
CID 46647393
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
1-(2,2-dimethylpropyl)-3-(3-methyl-2-phenylbutyl)urea
CID 112840322

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[(2R)-2-phenylbutyl]carbamoylamino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[[(2R)-2-phenylbutyl]carbamoylamino]propanamide (CID 95570545) is 2,2-dimethyl-3-[[(2R)-2-phenylbutyl]carbamoylamino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[[(2R)-2-phenylbutyl]carbamoylamino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[[(2R)-2-phenylbutyl]carbamoylamino]propanamide is CC[C@@H](CNC(=O)NCC(C)(C)C(N)=O)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-[[(2R)-2-phenylbutyl]carbamoylamino]propanamide?
The InChIKey is ZICIHCUMUSKUJP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-12(13-8-6-5-7-9-13)10-18-15(21)19-11-16(2,3)14(17)20/h5-9,12H,4,10-11H2,1-3H3,(H2,17,20)(H2,18,19,21)/t12-/m0/s1.
What are the key properties of 2,2-dimethyl-3-[[(2R)-2-phenylbutyl]carbamoylamino]propanamide?
2,2-dimethyl-3-[[(2R)-2-phenylbutyl]carbamoylamino]propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[(2R)-2-phenylbutyl]carbamoylamino]propanamide is sourced from PubChem (CID 95570545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).