N,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide

C14H22N2O — CID 63868541

IUPACN,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide
SMILESC[C@H](NCCCC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-12(13-8-5-4-6-9-13)15-11-7-10-14(17)16(2)3/h4-6,8-9,12,15H,7,10-11H2,1-3H3/t12-/m0/s1
InChIKeyLNFLIZFBCOYEDC-LBPRGKRZSA-N
MW234.34 g/mol
LogP2.21
Rot. Bonds6

About N,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide

N,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide (PubChem CID 63868541) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide
PubChem CID63868541
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide
SMILESC[C@H](NCCCC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-12(13-8-5-4-6-9-13)15-11-7-10-14(17)16(2)3/h4-6,8-9,12,15H,7,10-11H2,1-3H3/t12-/m0/s1
InChIKeyLNFLIZFBCOYEDC-LBPRGKRZSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butanamide
CID 81356992
N,N-dimethyl-4-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
CID 81410553
4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63866910
4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N,N-dimethylbutanamide
CID 81372994
N,N-dimethyl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 28564746
4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-N,N-dimethylbutanamide
CID 81380915
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
3-(1-phenylethylamino)propanoic acid
CID 2826777
3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54935284
N-butyl-N-methyl-3-(1-phenylethylamino)propanamide
CID 109020272
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81348231

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide?
The IUPAC name of N,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide (CID 63868541) is N,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide.
What is the SMILES notation for N,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide?
The canonical SMILES for N,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide is C[C@H](NCCCC(=O)N(C)C)c1ccccc1.
What is the InChIKey of N,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide?
The InChIKey is LNFLIZFBCOYEDC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12(13-8-5-4-6-9-13)15-11-7-10-14(17)16(2)3/h4-6,8-9,12,15H,7,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of N,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide?
N,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanamide is sourced from PubChem (CID 63868541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).