4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide

C20H26N2O3 — CID 119288200

IUPAC4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCOc1cc(C(C)NC(=O)c2ccc(CN)cc2)ccc1OC(C)C
InChIInChI=1S/C20H26N2O3/c1-13(2)25-18-10-9-17(11-19(18)24-4)14(3)22-20(23)16-7-5-15(12-21)6-8-16/h5-11,13-14H,12,21H2,1-4H3,(H,22,23)
InChIKeyVPCCPAPMSNYCFQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.43
Rot. Bonds7

About 4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide

4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide (PubChem CID 119288200) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
PubChem CID119288200
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCOc1cc(C(C)NC(=O)c2ccc(CN)cc2)ccc1OC(C)C
InChIInChI=1S/C20H26N2O3/c1-13(2)25-18-10-9-17(11-19(18)24-4)14(3)22-20(23)16-7-5-15(12-21)6-8-16/h5-11,13-14H,12,21H2,1-4H3,(H,22,23)
InChIKeyVPCCPAPMSNYCFQ-UHFFFAOYSA-N
XLogP3.43
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
methyl 3-[[4-(aminomethyl)benzoyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 119274269
5-(methoxymethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide
CID 78867521
(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-nitrobenzamide
CID 55653730
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-(phenylsulfanylmethyl)benzamide
CID 28580089
2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide
CID 119721222
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanylbenzamide
CID 78852706
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide (CID 119288200) is 4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide is COc1cc(C(C)NC(=O)c2ccc(CN)cc2)ccc1OC(C)C.
What is the InChIKey of 4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide?
The InChIKey is VPCCPAPMSNYCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13(2)25-18-10-9-17(11-19(18)24-4)14(3)22-20(23)16-7-5-15(12-21)6-8-16/h5-11,13-14H,12,21H2,1-4H3,(H,22,23).
What are the key properties of 4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide?
4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide has a molecular weight of 342.44 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide is sourced from PubChem (CID 119288200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).