N-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide

C14H22N2O3 — CID 120508145

IUPACN-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide
SMILESCOCCCOc1cccc(C(=O)N[C@@H](C)CN)c1
InChIInChI=1S/C14H22N2O3/c1-11(10-15)16-14(17)12-5-3-6-13(9-12)19-8-4-7-18-2/h3,5-6,9,11H,4,7-8,10,15H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyOWBMIHPLVQHVFI-NSHDSACASA-N
MW266.34 g/mol
LogP1.18
Rot. Bonds8

About N-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide

N-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide (PubChem CID 120508145) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide
PubChem CID120508145
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide
SMILESCOCCCOc1cccc(C(=O)N[C@@H](C)CN)c1
InChIInChI=1S/C14H22N2O3/c1-11(10-15)16-14(17)12-5-3-6-13(9-12)19-8-4-7-18-2/h3,5-6,9,11H,4,7-8,10,15H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyOWBMIHPLVQHVFI-NSHDSACASA-N
XLogP1.18
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide
CID 119598109
N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide
CID 119626863
N-(1-aminopropan-2-yl)-3-iodobenzamide
CID 63733818
3-(3-methylbutoxy)-N-[2-[[3-(3-methylbutoxy)benzoyl]amino]propyl]benzamide
CID 4982231
1-[3-(4-methoxybutoxy)phenyl]ethanone
CID 57239152
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500932
3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119177226
N-(3-oxobutan-2-yl)-3-propoxybenzamide
CID 64996689
3-[(3-ethoxybenzoyl)amino]butanoic acid
CID 119221439
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 81041104

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide (CID 120508145) is N-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide is COCCCOc1cccc(C(=O)N[C@@H](C)CN)c1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide?
The InChIKey is OWBMIHPLVQHVFI-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(10-15)16-14(17)12-5-3-6-13(9-12)19-8-4-7-18-2/h3,5-6,9,11H,4,7-8,10,15H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide?
N-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide has a molecular weight of 266.34 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide is sourced from PubChem (CID 120508145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).