4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide

C15H22N2O3 — CID 120592361

IUPAC4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ccc(OCC2CC2)cc1
InChIInChI=1S/C15H22N2O3/c1-19-14(9-16)8-15(18)17-12-4-6-13(7-5-12)20-10-11-2-3-11/h4-7,11,14H,2-3,8-10,16H2,1H3,(H,17,18)
InChIKeyGDQMAOIVKZJBGC-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.78
Rot. Bonds8

About 4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide

4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide (PubChem CID 120592361) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide
PubChem CID120592361
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ccc(OCC2CC2)cc1
InChIInChI=1S/C15H22N2O3/c1-19-14(9-16)8-15(18)17-12-4-6-13(7-5-12)20-10-11-2-3-11/h4-7,11,14H,2-3,8-10,16H2,1H3,(H,17,18)
InChIKeyGDQMAOIVKZJBGC-UHFFFAOYSA-N
XLogP1.78
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 120588275
3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide
CID 119951561
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride
CID 120586597
ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
CID 103154656
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 120587425
4-amino-3-methoxy-N-(4-propylphenyl)butanamide
CID 103154337
4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide
CID 103154230
4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 120595204
4-amino-3-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 120590016
4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide
CID 103154546
2-amino-N-[4-(cyclopropylmethoxy)phenyl]pentanamide
CID 119325264

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide (CID 120592361) is 4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide is COC(CN)CC(=O)Nc1ccc(OCC2CC2)cc1.
What is the InChIKey of 4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide?
The InChIKey is GDQMAOIVKZJBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-14(9-16)8-15(18)17-12-4-6-13(7-5-12)20-10-11-2-3-11/h4-7,11,14H,2-3,8-10,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide?
4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide has a molecular weight of 278.35 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide is sourced from PubChem (CID 120592361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).