3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3-methylbutanamide

C17H26N2O2 — CID 124687026

IUPAC3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(N(C(=O)CC(C)(C)N)[C@H](C)C2CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-12(13-5-6-13)19(16(20)11-17(2,3)18)14-7-9-15(21-4)10-8-14/h7-10,12-13H,5-6,11,18H2,1-4H3/t12-/m1/s1
InChIKeyQBPOZZVLBYWCMI-GFCCVEGCSA-N
MW290.41 g/mol
LogP2.95
Rot. Bonds6

About 3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3-methylbutanamide

3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3-methylbutanamide (PubChem CID 124687026) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3-methylbutanamide
PubChem CID124687026
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(N(C(=O)CC(C)(C)N)[C@H](C)C2CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-12(13-5-6-13)19(16(20)11-17(2,3)18)14-7-9-15(21-4)10-8-14/h7-10,12-13H,5-6,11,18H2,1-4H3/t12-/m1/s1
InChIKeyQBPOZZVLBYWCMI-GFCCVEGCSA-N
XLogP2.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pentanamide
CID 120561869
7-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)heptanamide
CID 119764332
N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-2-(tetrazol-1-yl)acetamide
CID 125145764
trans-(1R,3R)-3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 124777561
N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 122136174
N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzamide
CID 52535085
N-[(1S)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 124527848
N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 47089588
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 64678742
N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119312384
N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 95277110
2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid
CID 100636955

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3-methylbutanamide (CID 124687026) is 3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3-methylbutanamide is COc1ccc(N(C(=O)CC(C)(C)N)[C@H](C)C2CC2)cc1.
What is the InChIKey of 3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3-methylbutanamide?
The InChIKey is QBPOZZVLBYWCMI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(13-5-6-13)19(16(20)11-17(2,3)18)14-7-9-15(21-4)10-8-14/h7-10,12-13H,5-6,11,18H2,1-4H3/t12-/m1/s1.
What are the key properties of 3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3-methylbutanamide?
3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3-methylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 124687026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).