N-(2-amino-3-hydroxy-4-nonylphenyl)propanamide

C18H30N2O2 — CID 140570611

IUPACN-(2-amino-3-hydroxy-4-nonylphenyl)propanamide
SMILESCCCCCCCCCc1ccc(NC(=O)CC)c(N)c1O
InChIInChI=1S/C18H30N2O2/c1-3-5-6-7-8-9-10-11-14-12-13-15(17(19)18(14)22)20-16(21)4-2/h12-13,22H,3-11,19H2,1-2H3,(H,20,21)
InChIKeyLROYFWAIPNDHQR-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.62
Rot. Bonds10

About N-(2-amino-3-hydroxy-4-nonylphenyl)propanamide

N-(2-amino-3-hydroxy-4-nonylphenyl)propanamide (PubChem CID 140570611) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-(2-amino-3-hydroxy-4-nonylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxy-4-nonylphenyl)propanamide
PubChem CID140570611
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-(2-amino-3-hydroxy-4-nonylphenyl)propanamide
SMILESCCCCCCCCCc1ccc(NC(=O)CC)c(N)c1O
InChIInChI=1S/C18H30N2O2/c1-3-5-6-7-8-9-10-11-14-12-13-15(17(19)18(14)22)20-16(21)4-2/h12-13,22H,3-11,19H2,1-2H3,(H,20,21)
InChIKeyLROYFWAIPNDHQR-UHFFFAOYSA-N
XLogP4.62
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-dodecyl-2,3-dihydroxybenzoic acid
CID 21475788
3-heptyl-N-[2-[(3-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide
CID 101305922
2-amino-3,6-dipropylphenol
CID 134347282
2-butyl-6-octylaniline
CID 154074002
2,3-dimethyl-6-octylphenol
CID 141122420
2,6-dihydroxy-3-pentylbenzoic acid
CID 91382378
acetic acid;3-pentadecylbenzene-1,2-diol
CID 67779350
5-amino-2-nonylphenol
CID 152595596
carboxy hydrogen carbonate;1,2-dioctylbenzene
CID 157253642
2-amino-3-decylbenzoic acid
CID 118902812
(2-heptadecylphenyl)carbamic acid
CID 71374202
3-heptyl-2-hydroxybenzoic acid
CID 67845198

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxy-4-nonylphenyl)propanamide?
The IUPAC name of N-(2-amino-3-hydroxy-4-nonylphenyl)propanamide (CID 140570611) is N-(2-amino-3-hydroxy-4-nonylphenyl)propanamide.
What is the SMILES notation for N-(2-amino-3-hydroxy-4-nonylphenyl)propanamide?
The canonical SMILES for N-(2-amino-3-hydroxy-4-nonylphenyl)propanamide is CCCCCCCCCc1ccc(NC(=O)CC)c(N)c1O.
What is the InChIKey of N-(2-amino-3-hydroxy-4-nonylphenyl)propanamide?
The InChIKey is LROYFWAIPNDHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-3-5-6-7-8-9-10-11-14-12-13-15(17(19)18(14)22)20-16(21)4-2/h12-13,22H,3-11,19H2,1-2H3,(H,20,21).
What are the key properties of N-(2-amino-3-hydroxy-4-nonylphenyl)propanamide?
N-(2-amino-3-hydroxy-4-nonylphenyl)propanamide has a molecular weight of 306.45 g/mol, XLogP of 4.62, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxy-4-nonylphenyl)propanamide is sourced from PubChem (CID 140570611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).