2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide

C16H23N3O2 — CID 61118366

IUPAC2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NCC2CCN(C3CC3)C2)c1
InChIInChI=1S/C16H23N3O2/c1-21-13-4-5-15(17)14(8-13)16(20)18-9-11-6-7-19(10-11)12-2-3-12/h4-5,8,11-12H,2-3,6-7,9-10,17H2,1H3,(H,18,20)
InChIKeyUXVVSRHWTVDNJT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.49
Rot. Bonds5

About 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide

2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide (PubChem CID 61118366) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
PubChem CID61118366
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NCC2CCN(C3CC3)C2)c1
InChIInChI=1S/C16H23N3O2/c1-21-13-4-5-15(17)14(8-13)16(20)18-9-11-6-7-19(10-11)12-2-3-12/h4-5,8,11-12H,2-3,6-7,9-10,17H2,1H3,(H,18,20)
InChIKeyUXVVSRHWTVDNJT-UHFFFAOYSA-N
XLogP1.49
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
CID 81092770
2-amino-5-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107410964
2-amino-N-[(3-hydroxycyclopentyl)methyl]-5-methoxybenzamide
CID 106118755
3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide
CID 79758259
4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride
CID 119854816
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide
CID 47031179
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide
CID 86984895
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 95303166
2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 99832914
2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodobenzamide
CID 103994708
2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide
CID 61383519
2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide
CID 107075001

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide?
The IUPAC name of 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide (CID 61118366) is 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide is COc1ccc(N)c(C(=O)NCC2CCN(C3CC3)C2)c1.
What is the InChIKey of 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide?
The InChIKey is UXVVSRHWTVDNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-21-13-4-5-15(17)14(8-13)16(20)18-9-11-6-7-19(10-11)12-2-3-12/h4-5,8,11-12H,2-3,6-7,9-10,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide?
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide has a molecular weight of 289.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide is sourced from PubChem (CID 61118366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).