N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide

C15H24N2O3 — CID 120504957

IUPACN-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N[C@@H](C)CN)cc1OCC
InChIInChI=1S/C15H24N2O3/c1-4-8-20-13-7-6-12(9-14(13)19-5-2)15(18)17-11(3)10-16/h6-7,9,11H,4-5,8,10,16H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyDXTYDNFUJNIJKY-NSHDSACASA-N
MW280.37 g/mol
LogP1.95
Rot. Bonds8

About N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide

N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide (PubChem CID 120504957) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide
PubChem CID120504957
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N[C@@H](C)CN)cc1OCC
InChIInChI=1S/C15H24N2O3/c1-4-8-20-13-7-6-12(9-14(13)19-5-2)15(18)17-11(3)10-16/h6-7,9,11H,4-5,8,10,16H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyDXTYDNFUJNIJKY-NSHDSACASA-N
XLogP1.95
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dipropoxybenzoyl)amino]butanoic acid
CID 119220905
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59910538
N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide
CID 119384376
N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide
CID 119498085
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120505097
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 120506829
N-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide
CID 106180328
(2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid
CID 119372647
N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide
CID 47087147
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
3-ethoxy-N',N'-dimethyl-4-propoxybenzohydrazide
CID 9164038

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide (CID 120504957) is N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide is CCCOc1ccc(C(=O)N[C@@H](C)CN)cc1OCC.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide?
The InChIKey is DXTYDNFUJNIJKY-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-8-20-13-7-6-12(9-14(13)19-5-2)15(18)17-11(3)10-16/h6-7,9,11H,4-5,8,10,16H2,1-3H3,(H,17,18)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide?
N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide has a molecular weight of 280.37 g/mol, XLogP of 1.95, 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-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 120504957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).