3-amino-2-[3-(cyclopropylmethoxy)propylamino]benzamide

C14H21N3O2 — CID 114098632

IUPAC3-amino-2-[3-(cyclopropylmethoxy)propylamino]benzamide
SMILESNC(=O)c1cccc(N)c1NCCCOCC1CC1
InChIInChI=1S/C14H21N3O2/c15-12-4-1-3-11(14(16)18)13(12)17-7-2-8-19-9-10-5-6-10/h1,3-4,10,17H,2,5-9,15H2,(H2,16,18)
InChIKeyMGQFCYDUZHVVLM-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.60
Rot. Bonds8

About 3-amino-2-[3-(cyclopropylmethoxy)propylamino]benzamide

3-amino-2-[3-(cyclopropylmethoxy)propylamino]benzamide (PubChem CID 114098632) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-2-[3-(cyclopropylmethoxy)propylamino]benzamide.

Molecular Properties

Compound Name3-amino-2-[3-(cyclopropylmethoxy)propylamino]benzamide
PubChem CID114098632
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-2-[3-(cyclopropylmethoxy)propylamino]benzamide
SMILESNC(=O)c1cccc(N)c1NCCCOCC1CC1
InChIInChI=1S/C14H21N3O2/c15-12-4-1-3-11(14(16)18)13(12)17-7-2-8-19-9-10-5-6-10/h1,3-4,10,17H,2,5-9,15H2,(H2,16,18)
InChIKeyMGQFCYDUZHVVLM-UHFFFAOYSA-N
XLogP1.60
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(oxan-4-ylmethylamino)benzamide
CID 112578986
3-amino-2-(3-ethoxypropylamino)benzoic acid
CID 112577884
3-amino-2-(5,5,5-trifluoropentylamino)benzamide
CID 112579360
3-amino-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide
CID 112579002
3-amino-2-[4-[methyl(propan-2-yl)amino]butylamino]benzamide
CID 115934739
3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide
CID 112578815
ethyl 3-amino-2-(2-cyclopropylethylamino)benzoate
CID 112579170
3-amino-2-(2-butoxyethylamino)benzoic acid
CID 112578702
3-amino-2-[(2-methylcyclohexyl)methylamino]benzamide
CID 112578623
N-[3-(cyclopropylmethoxy)propyl]-2-hydroxy-3-nitrobenzamide
CID 103746319
3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide
CID 114113192
3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 112578046

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-(cyclopropylmethoxy)propylamino]benzamide?
The IUPAC name of 3-amino-2-[3-(cyclopropylmethoxy)propylamino]benzamide (CID 114098632) is 3-amino-2-[3-(cyclopropylmethoxy)propylamino]benzamide.
What is the SMILES notation for 3-amino-2-[3-(cyclopropylmethoxy)propylamino]benzamide?
The canonical SMILES for 3-amino-2-[3-(cyclopropylmethoxy)propylamino]benzamide is NC(=O)c1cccc(N)c1NCCCOCC1CC1.
What is the InChIKey of 3-amino-2-[3-(cyclopropylmethoxy)propylamino]benzamide?
The InChIKey is MGQFCYDUZHVVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-12-4-1-3-11(14(16)18)13(12)17-7-2-8-19-9-10-5-6-10/h1,3-4,10,17H,2,5-9,15H2,(H2,16,18).
What are the key properties of 3-amino-2-[3-(cyclopropylmethoxy)propylamino]benzamide?
3-amino-2-[3-(cyclopropylmethoxy)propylamino]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-(cyclopropylmethoxy)propylamino]benzamide is sourced from PubChem (CID 114098632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).