N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide

C16H26N2O3 — CID 120505097

IUPACN-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)N[C@@H](C)CN)ccc1OCCC(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)7-8-21-14-6-5-13(9-15(14)20-4)16(19)18-12(3)10-17/h5-6,9,11-12H,7-8,10,17H2,1-4H3,(H,18,19)/t12-/m0/s1
InChIKeyMVORDXOYBUNKMK-LBPRGKRZSA-N
MW294.39 g/mol
LogP2.20
Rot. Bonds8

About N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide

N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide (PubChem CID 120505097) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
PubChem CID120505097
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)N[C@@H](C)CN)ccc1OCCC(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)7-8-21-14-6-5-13(9-15(14)20-4)16(19)18-12(3)10-17/h5-6,9,11-12H,7-8,10,17H2,1-4H3,(H,18,19)/t12-/m0/s1
InChIKeyMVORDXOYBUNKMK-LBPRGKRZSA-N
XLogP2.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120507137
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 120507834
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide;hydrochloride
CID 120508088
N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide
CID 120504957
N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
CID 51186820
4-amino-N-butan-2-yl-3-(3-methylbutoxy)benzamide
CID 82069989
4-butoxy-N-(1-hydroxypropan-2-yl)-3-methoxybenzamide
CID 78856853
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 18839435
N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119587214
N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide
CID 112501675
3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide
CID 146022969

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide (CID 120505097) is N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide is COc1cc(C(=O)N[C@@H](C)CN)ccc1OCCC(C)C.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide?
The InChIKey is MVORDXOYBUNKMK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(2)7-8-21-14-6-5-13(9-15(14)20-4)16(19)18-12(3)10-17/h5-6,9,11-12H,7-8,10,17H2,1-4H3,(H,18,19)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide?
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide has a molecular weight of 294.39 g/mol, XLogP of 2.20, 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-methoxy-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 120505097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).