2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide

C18H30N2O3 — CID 119721222

IUPAC2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC(C)c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C18H30N2O3/c1-7-12(4)17(19)18(21)20-13(5)14-8-9-15(23-11(2)3)16(10-14)22-6/h8-13,17H,7,19H2,1-6H3,(H,20,21)
InChIKeyMQYHFYHOPNBOBW-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.03
Rot. Bonds8

About 2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide

2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide (PubChem CID 119721222) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide
PubChem CID119721222
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC(C)c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C18H30N2O3/c1-7-12(4)17(19)18(21)20-13(5)14-8-9-15(23-11(2)3)16(10-14)22-6/h8-13,17H,7,19H2,1-6H3,(H,20,21)
InChIKeyMQYHFYHOPNBOBW-UHFFFAOYSA-N
XLogP3.03
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177
(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 119736427
(2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61155475
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119721211
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,2-diphenylacetamide
CID 46440384
(2S,3S)-2-amino-3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61178738
2-(carbamoylamino)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]hexanamide
CID 48676167
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81373790
2-amino-3-methyl-N-(1-naphthalen-2-ylethyl)pentanamide
CID 119685967
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide
CID 61167349

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide (CID 119721222) is 2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NC(C)c1ccc(OC(C)C)c(OC)c1.
What is the InChIKey of 2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide?
The InChIKey is MQYHFYHOPNBOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-7-12(4)17(19)18(21)20-13(5)14-8-9-15(23-11(2)3)16(10-14)22-6/h8-13,17H,7,19H2,1-6H3,(H,20,21).
What are the key properties of 2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide?
2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide has a molecular weight of 322.45 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide is sourced from PubChem (CID 119721222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).