3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide

C16H26N2O3 — CID 119294135

IUPAC3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide
SMILESCOc1cc(C(C)NC(=O)CCN)ccc1OCC(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)10-21-14-6-5-13(9-15(14)20-4)12(3)18-16(19)7-8-17/h5-6,9,11-12H,7-8,10,17H2,1-4H3,(H,18,19)
InChIKeyOTMSANKDUMBKOR-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.26
Rot. Bonds8

About 3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide

3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide (PubChem CID 119294135) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide
PubChem CID119294135
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide
SMILESCOc1cc(C(C)NC(=O)CCN)ccc1OCC(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)10-21-14-6-5-13(9-15(14)20-4)12(3)18-16(19)7-8-17/h5-6,9,11-12H,7-8,10,17H2,1-4H3,(H,18,19)
InChIKeyOTMSANKDUMBKOR-UHFFFAOYSA-N
XLogP2.26
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119732105
2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 119732092
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[4-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-4-oxobutyl]benzamide
CID 42958527
6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 61166957
2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 46415294
4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide
CID 119288244
(2S)-2-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-3,3-dimethylbutanamide
CID 119732110
2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 55637736
2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 51940486
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119732117
2,4-dichloro-N-[2-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 46415115

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide?
The IUPAC name of 3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide (CID 119294135) is 3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide?
The canonical SMILES for 3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide is COc1cc(C(C)NC(=O)CCN)ccc1OCC(C)C.
What is the InChIKey of 3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide?
The InChIKey is OTMSANKDUMBKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(2)10-21-14-6-5-13(9-15(14)20-4)12(3)18-16(19)7-8-17/h5-6,9,11-12H,7-8,10,17H2,1-4H3,(H,18,19).
What are the key properties of 3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide?
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide has a molecular weight of 294.40 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide is sourced from PubChem (CID 119294135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).