(2R)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-2-pyrrol-1-ylbutanamide

C17H27N3O2 — CID 126444896

IUPAC(2R)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-2-pyrrol-1-ylbutanamide
SMILESCC[C@H](C(=O)NCC1(CN2CCOCC2)CC1)n1cccc1
InChIInChI=1S/C17H27N3O2/c1-2-15(20-7-3-4-8-20)16(21)18-13-17(5-6-17)14-19-9-11-22-12-10-19/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,18,21)/t15-/m1/s1
InChIKeyDYTPHNXXPVKQQZ-OAHLLOKOSA-N
MW305.42 g/mol
LogP1.67
Rot. Bonds7

About (2R)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-2-pyrrol-1-ylbutanamide

(2R)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-2-pyrrol-1-ylbutanamide (PubChem CID 126444896) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-2-pyrrol-1-ylbutanamide.

Molecular Properties

Compound Name(2R)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-2-pyrrol-1-ylbutanamide
PubChem CID126444896
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2R)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-2-pyrrol-1-ylbutanamide
SMILESCC[C@H](C(=O)NCC1(CN2CCOCC2)CC1)n1cccc1
InChIInChI=1S/C17H27N3O2/c1-2-15(20-7-3-4-8-20)16(21)18-13-17(5-6-17)14-19-9-11-22-12-10-19/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,18,21)/t15-/m1/s1
InChIKeyDYTPHNXXPVKQQZ-OAHLLOKOSA-N
XLogP1.67
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-2-pyrrol-1-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-propan-2-ylcyclopropyl)methyl]-2-pyrrol-1-ylbutanamide
CID 122568468
1-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-3-prop-2-ynylurea
CID 71975516
(2S)-2-amino-3,3-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide;dihydrochloride
CID 119896471
(2R)-N-(2-morpholin-4-ylethyl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 110205726
3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide
CID 119896490
2-amino-2-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]propanamide
CID 119896444
3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide
CID 91957375
N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]oxolane-2-carboxamide
CID 91957399
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 126790169
N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]pyrazine-2-carboxamide
CID 91957397
(3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide
CID 96569943
3-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 91957824

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-2-pyrrol-1-ylbutanamide?
The IUPAC name of (2R)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-2-pyrrol-1-ylbutanamide (CID 126444896) is (2R)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-2-pyrrol-1-ylbutanamide.
What is the SMILES notation for (2R)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-2-pyrrol-1-ylbutanamide?
The canonical SMILES for (2R)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-2-pyrrol-1-ylbutanamide is CC[C@H](C(=O)NCC1(CN2CCOCC2)CC1)n1cccc1.
What is the InChIKey of (2R)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-2-pyrrol-1-ylbutanamide?
The InChIKey is DYTPHNXXPVKQQZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-15(20-7-3-4-8-20)16(21)18-13-17(5-6-17)14-19-9-11-22-12-10-19/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,18,21)/t15-/m1/s1.
What are the key properties of (2R)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-2-pyrrol-1-ylbutanamide?
(2R)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-2-pyrrol-1-ylbutanamide has a molecular weight of 305.42 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-2-pyrrol-1-ylbutanamide is sourced from PubChem (CID 126444896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).