4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide

C17H26N2O3 — CID 120593809

IUPAC4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCc1ccc(C)cc1OCC1CC1
InChIInChI=1S/C17H26N2O3/c1-12-3-6-14(16(7-12)22-11-13-4-5-13)10-19-17(20)8-15(9-18)21-2/h3,6-7,13,15H,4-5,8-11,18H2,1-2H3,(H,19,20)
InChIKeyMGZCTYBBBOOWSJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.76
Rot. Bonds9

About 4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide

4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide (PubChem CID 120593809) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide
PubChem CID120593809
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCc1ccc(C)cc1OCC1CC1
InChIInChI=1S/C17H26N2O3/c1-12-3-6-14(16(7-12)22-11-13-4-5-13)10-19-17(20)8-15(9-18)21-2/h3,6-7,13,15H,4-5,8-11,18H2,1-2H3,(H,19,20)
InChIKeyMGZCTYBBBOOWSJ-UHFFFAOYSA-N
XLogP1.76
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide
CID 119811442
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]urea
CID 97055333
(2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide
CID 119339475
2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-methylsulfonylbutanamide
CID 119957687
(2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119339476
N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119811430
3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide
CID 119952264
2-(cyclopropylmethylamino)-N-[(2-methoxy-4-methylphenyl)methyl]acetamide
CID 119808693
2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119339664
4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide
CID 120592361
4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 120587250
5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119159652

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide (CID 120593809) is 4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide is COC(CN)CC(=O)NCc1ccc(C)cc1OCC1CC1.
What is the InChIKey of 4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide?
The InChIKey is MGZCTYBBBOOWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-3-6-14(16(7-12)22-11-13-4-5-13)10-19-17(20)8-15(9-18)21-2/h3,6-7,13,15H,4-5,8-11,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide?
4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide has a molecular weight of 306.41 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide is sourced from PubChem (CID 120593809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).