N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide

C22H27N3O — CID 90214000

IUPACN-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc(C3CC3NCC3CC3)cc2)c1
InChIInChI=1S/C22H27N3O/c1-25(2)19-5-3-4-17(12-19)22(26)24-18-10-8-16(9-11-18)20-13-21(20)23-14-15-6-7-15/h3-5,8-12,15,20-21,23H,6-7,13-14H2,1-2H3,(H,24,26)
InChIKeyNJAUEKKSVQXXTA-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.86
Rot. Bonds7

About N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide

N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide (PubChem CID 90214000) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide
PubChem CID90214000
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc(C3CC3NCC3CC3)cc2)c1
InChIInChI=1S/C22H27N3O/c1-25(2)19-5-3-4-17(12-19)22(26)24-18-10-8-16(9-11-18)20-13-21(20)23-14-15-6-7-15/h3-5,8-12,15,20-21,23H,6-7,13-14H2,1-2H3,(H,24,26)
InChIKeyNJAUEKKSVQXXTA-UHFFFAOYSA-N
XLogP3.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 90214001
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(dimethylamino)benzamide
CID 90214253
4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(4-methylpiperazin-1-yl)benzamide
CID 71260532
4-tert-butyl-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214029
4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214032
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-methylbenzamide;hydrochloride
CID 90214407
N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
CID 90213996
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide
CID 90214164
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride
CID 90214167
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyrimidin-2-ylbenzamide
CID 90214109

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide (CID 90214000) is N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)Nc2ccc(C3CC3NCC3CC3)cc2)c1.
What is the InChIKey of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide?
The InChIKey is NJAUEKKSVQXXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-25(2)19-5-3-4-17(12-19)22(26)24-18-10-8-16(9-11-18)20-13-21(20)23-14-15-6-7-15/h3-5,8-12,15,20-21,23H,6-7,13-14H2,1-2H3,(H,24,26).
What are the key properties of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide?
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide has a molecular weight of 349.48 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 90214000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).