(2S)-3-methyl-2-(tetradecylamino)butanamide

C19H40N2O — CID 54544525

IUPAC(2S)-3-methyl-2-(tetradecylamino)butanamide
SMILESCCCCCCCCCCCCCCN[C@H](C(N)=O)C(C)C
InChIInChI=1S/C19H40N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-18(17(2)3)19(20)22/h17-18,21H,4-16H2,1-3H3,(H2,20,22)/t18-/m0/s1
InChIKeyZFPDDNAJQVWVPT-SFHVURJKSA-N
MW312.54 g/mol
LogP4.79
Rot. Bonds16

About (2S)-3-methyl-2-(tetradecylamino)butanamide

(2S)-3-methyl-2-(tetradecylamino)butanamide (PubChem CID 54544525) has the molecular formula C19H40N2O and a molecular weight of 312.54 g/mol. Its IUPAC name is (2S)-3-methyl-2-(tetradecylamino)butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-(tetradecylamino)butanamide
PubChem CID54544525
Molecular FormulaC19H40N2O
Molecular Weight312.54 g/mol
Exact Mass312.31
IUPAC Name(2S)-3-methyl-2-(tetradecylamino)butanamide
SMILESCCCCCCCCCCCCCCN[C@H](C(N)=O)C(C)C
InChIInChI=1S/C19H40N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-18(17(2)3)19(20)22/h17-18,21H,4-16H2,1-3H3,(H2,20,22)/t18-/m0/s1
InChIKeyZFPDDNAJQVWVPT-SFHVURJKSA-N
XLogP4.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.54
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-(pentylamino)butanamide
CID 103914102
methyl 2-(dodecylamino)-3-methylbutanoate
CID 63402058
2-(3-hydroxypropylamino)-3-methylbutanamide
CID 103914237
(2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride
CID 171647987
methyl 2-(octylamino)propanoate
CID 60780709
methyl 2-(tetradecylamino)propanoate
CID 174995791
2-[4-(tetradecylamino)butylamino]butanamide
CID 175024981
2-(tridecylamino)octanamide
CID 154123950
carbamoyl 2-[7-[(1-carbamoyloxy-3-methyl-1-oxobutan-2-yl)amino]heptylamino]-3-methylbutanoate
CID 123513496
ethyl 2-(hexylamino)propanoate
CID 13388952
ethyl 2-(heptylamino)propanoate
CID 61498650
(2S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-(pentylamino)butanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanamide
CID 88814635

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(tetradecylamino)butanamide?
The IUPAC name of (2S)-3-methyl-2-(tetradecylamino)butanamide (CID 54544525) is (2S)-3-methyl-2-(tetradecylamino)butanamide.
What is the SMILES notation for (2S)-3-methyl-2-(tetradecylamino)butanamide?
The canonical SMILES for (2S)-3-methyl-2-(tetradecylamino)butanamide is CCCCCCCCCCCCCCN[C@H](C(N)=O)C(C)C.
What is the InChIKey of (2S)-3-methyl-2-(tetradecylamino)butanamide?
The InChIKey is ZFPDDNAJQVWVPT-SFHVURJKSA-N. The full InChI is InChI=1S/C19H40N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-18(17(2)3)19(20)22/h17-18,21H,4-16H2,1-3H3,(H2,20,22)/t18-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(tetradecylamino)butanamide?
(2S)-3-methyl-2-(tetradecylamino)butanamide has a molecular weight of 312.54 g/mol, XLogP of 4.79, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(tetradecylamino)butanamide is sourced from PubChem (CID 54544525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).