(2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide

C18H34N4O — CID 10805811

IUPAC(2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide
SMILESCCCCCCCCCCCCNC(=O)[C@@H](N)Cc1cnc[nH]1
InChIInChI=1S/C18H34N4O/c1-2-3-4-5-6-7-8-9-10-11-12-21-18(23)17(19)13-16-14-20-15-22-16/h14-15,17H,2-13,19H2,1H3,(H,20,22)(H,21,23)/t17-/m0/s1
InChIKeyCXYGRDSHYNQUQX-KRWDZBQOSA-N
MW322.50 g/mol
LogP3.32
Rot. Bonds14

About (2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide

(2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide (PubChem CID 10805811) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is (2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide
PubChem CID10805811
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name(2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide
SMILESCCCCCCCCCCCCNC(=O)[C@@H](N)Cc1cnc[nH]1
InChIInChI=1S/C18H34N4O/c1-2-3-4-5-6-7-8-9-10-11-12-21-18(23)17(19)13-16-14-20-15-22-16/h14-15,17H,2-13,19H2,1H3,(H,20,22)(H,21,23)/t17-/m0/s1
InChIKeyCXYGRDSHYNQUQX-KRWDZBQOSA-N
XLogP3.32
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(3-aminopropyl)-3-(1H-imidazol-5-yl)propanamide
CID 67571460
2-N-heptyl-4-(1H-imidazol-5-yl)but-1-ene-2,3-diamine
CID 170585262
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(3-methylsulfanylpropyl)propanamide
CID 171776509
N-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]icosanamide
CID 139763969
2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide
CID 156533932
N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide
CID 123905839
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methoxyethyl)propanamide
CID 68976310
decyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 176896524
(2S)-2-(3-aminopropanoylamino)-N-hexyl-3-(1H-imidazol-5-yl)propanamide
CID 50942618
pentyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61302323
methyl (2S)-3-(1H-imidazol-5-yl)-2-(octadecylcarbamoylamino)propanoate
CID 132968908
(2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide
CID 156533963

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide (CID 10805811) is (2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide is CCCCCCCCCCCCNC(=O)[C@@H](N)Cc1cnc[nH]1.
What is the InChIKey of (2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is CXYGRDSHYNQUQX-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H34N4O/c1-2-3-4-5-6-7-8-9-10-11-12-21-18(23)17(19)13-16-14-20-15-22-16/h14-15,17H,2-13,19H2,1H3,(H,20,22)(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide?
(2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 322.50 g/mol, XLogP of 3.32, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 10805811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).