3-amino-N-[4-(morpholin-4-ylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C19H27N3O2 — CID 119832040

IUPAC3-amino-N-[4-(morpholin-4-ylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H27N3O2/c20-18-15-4-3-14(11-15)17(18)19(23)21-16-5-1-13(2-6-16)12-22-7-9-24-10-8-22/h1-2,5-6,14-15,17-18H,3-4,7-12,20H2,(H,21,23)
InChIKeySXDRWGLJDKFARI-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.83
Rot. Bonds4

About 3-amino-N-[4-(morpholin-4-ylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[4-(morpholin-4-ylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119832040) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-amino-N-[4-(morpholin-4-ylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(morpholin-4-ylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119832040
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-amino-N-[4-(morpholin-4-ylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H27N3O2/c20-18-15-4-3-14(11-15)17(18)19(23)21-16-5-1-13(2-6-16)12-22-7-9-24-10-8-22/h1-2,5-6,14-15,17-18H,3-4,7-12,20H2,(H,21,23)
InChIKeySXDRWGLJDKFARI-UHFFFAOYSA-N
XLogP1.83
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119908408
3-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119902582
1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 119853084
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119719010
N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide
CID 102557414
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
methyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate
CID 119775677
3-amino-N-[4-(phenylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119756435
3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119714116
3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119872726
2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine
CID 89193384
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(morpholin-4-ylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(morpholin-4-ylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119832040) is 3-amino-N-[4-(morpholin-4-ylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(morpholin-4-ylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(morpholin-4-ylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 3-amino-N-[4-(morpholin-4-ylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is SXDRWGLJDKFARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c20-18-15-4-3-14(11-15)17(18)19(23)21-16-5-1-13(2-6-16)12-22-7-9-24-10-8-22/h1-2,5-6,14-15,17-18H,3-4,7-12,20H2,(H,21,23).
What are the key properties of 3-amino-N-[4-(morpholin-4-ylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[4-(morpholin-4-ylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(morpholin-4-ylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119832040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).