N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide

C22H33N3O2 — CID 133112648

IUPACN-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide
SMILESO=C(N[C@@H]1CC[C@@H]1NC1CCCCCC1)c1ccccc1N1CCOCC1
InChIInChI=1S/C22H33N3O2/c26-22(18-9-5-6-10-21(18)25-13-15-27-16-14-25)24-20-12-11-19(20)23-17-7-3-1-2-4-8-17/h5-6,9-10,17,19-20,23H,1-4,7-8,11-16H2,(H,24,26)/t19-,20+/m0/s1
InChIKeyLDSCOIPTKJJGFU-VQTJNVASSA-N
MW371.53 g/mol
LogP3.10
Rot. Bonds5

About N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide

N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide (PubChem CID 133112648) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide
PubChem CID133112648
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide
SMILESO=C(N[C@@H]1CC[C@@H]1NC1CCCCCC1)c1ccccc1N1CCOCC1
InChIInChI=1S/C22H33N3O2/c26-22(18-9-5-6-10-21(18)25-13-15-27-16-14-25)24-20-12-11-19(20)23-17-7-3-1-2-4-8-17/h5-6,9-10,17,19-20,23H,1-4,7-8,11-16H2,(H,24,26)/t19-,20+/m0/s1
InChIKeyLDSCOIPTKJJGFU-VQTJNVASSA-N
XLogP3.10
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 168514596
N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide
CID 91766122
2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide
CID 125165608
2-morpholin-4-ylbenzohydrazide
CID 7148386
(2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid
CID 118763707
2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid
CID 91793018
2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide
CID 131931836
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide
CID 131939372
N-cyclohexyl-2-morpholin-4-ylaniline
CID 43717230
2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705560
N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide
CID 109031514
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide
CID 60612889

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide (CID 133112648) is N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide is O=C(N[C@@H]1CC[C@@H]1NC1CCCCCC1)c1ccccc1N1CCOCC1.
What is the InChIKey of N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide?
The InChIKey is LDSCOIPTKJJGFU-VQTJNVASSA-N. The full InChI is InChI=1S/C22H33N3O2/c26-22(18-9-5-6-10-21(18)25-13-15-27-16-14-25)24-20-12-11-19(20)23-17-7-3-1-2-4-8-17/h5-6,9-10,17,19-20,23H,1-4,7-8,11-16H2,(H,24,26)/t19-,20+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide?
N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide has a molecular weight of 371.53 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 133112648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).