(2S)-2-[amino(hexadecanoyl)amino]heptanamide

C23H47N3O2 — CID 163848056

IUPAC(2S)-2-[amino(hexadecanoyl)amino]heptanamide
SMILESCCCCCCCCCCCCCCCC(=O)N(N)[C@@H](CCCCC)C(N)=O
InChIInChI=1S/C23H47N3O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-22(27)26(25)21(23(24)28)19-17-6-4-2/h21H,3-20,25H2,1-2H3,(H2,24,28)/t21-/m0/s1
InChIKeyORXRMTMFAIKNBZ-NRFANRHFSA-N
MW397.65 g/mol
LogP5.60
Rot. Bonds20

About (2S)-2-[amino(hexadecanoyl)amino]heptanamide

(2S)-2-[amino(hexadecanoyl)amino]heptanamide (PubChem CID 163848056) has the molecular formula C23H47N3O2 and a molecular weight of 397.65 g/mol. Its IUPAC name is (2S)-2-[amino(hexadecanoyl)amino]heptanamide.

Molecular Properties

Compound Name(2S)-2-[amino(hexadecanoyl)amino]heptanamide
PubChem CID163848056
Molecular FormulaC23H47N3O2
Molecular Weight397.65 g/mol
Exact Mass397.37
IUPAC Name(2S)-2-[amino(hexadecanoyl)amino]heptanamide
SMILESCCCCCCCCCCCCCCCC(=O)N(N)[C@@H](CCCCC)C(N)=O
InChIInChI=1S/C23H47N3O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-22(27)26(25)21(23(24)28)19-17-6-4-2/h21H,3-20,25H2,1-2H3,(H2,24,28)/t21-/m0/s1
InChIKeyORXRMTMFAIKNBZ-NRFANRHFSA-N
XLogP5.60
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.65
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-[amino(hexadecanoyl)amino]heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-4-amino-3-[di(octadecanoyl)amino]-4-oxobutanoic acid
CID 91478873
N-amino-N-hydroxydocosanamide
CID 87686885
decan-5-ol;1,1-diaminourea
CID 174750930
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
5-hydroxyoctadecanamide
CID 23176537
N-(2-chloroacetyl)-N-icosanoylicosanamide
CID 162712848
azane;2-ethyldodecanamide
CID 174462460
N-(2-aminoacetyl)-N-octanoyloctanamide
CID 175927090
12-carbamoyltricosanoic acid
CID 118615002
2-ethylhexadecanamide;octadecanamide
CID 159948815

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[amino(hexadecanoyl)amino]heptanamide?
The IUPAC name of (2S)-2-[amino(hexadecanoyl)amino]heptanamide (CID 163848056) is (2S)-2-[amino(hexadecanoyl)amino]heptanamide.
What is the SMILES notation for (2S)-2-[amino(hexadecanoyl)amino]heptanamide?
The canonical SMILES for (2S)-2-[amino(hexadecanoyl)amino]heptanamide is CCCCCCCCCCCCCCCC(=O)N(N)[C@@H](CCCCC)C(N)=O.
What is the InChIKey of (2S)-2-[amino(hexadecanoyl)amino]heptanamide?
The InChIKey is ORXRMTMFAIKNBZ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H47N3O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-22(27)26(25)21(23(24)28)19-17-6-4-2/h21H,3-20,25H2,1-2H3,(H2,24,28)/t21-/m0/s1.
What are the key properties of (2S)-2-[amino(hexadecanoyl)amino]heptanamide?
(2S)-2-[amino(hexadecanoyl)amino]heptanamide has a molecular weight of 397.65 g/mol, XLogP of 5.60, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[amino(hexadecanoyl)amino]heptanamide is sourced from PubChem (CID 163848056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).