(2R)-1-carbamimidoyl-N-(4-decylphenyl)pyrrolidine-2-carboxamide

C22H36N4O — CID 118734406

IUPAC(2R)-1-carbamimidoyl-N-(4-decylphenyl)pyrrolidine-2-carboxamide
SMILES[H]/N=C(\N)N1CCC[C@@H]1C(=O)Nc1ccc(CCCCCCCCCC)cc1
InChIInChI=1S/C22H36N4O/c1-2-3-4-5-6-7-8-9-11-18-13-15-19(16-14-18)25-21(27)20-12-10-17-26(20)22(23)24/h13-16,20H,2-12,17H2,1H3,(H3,23,24)(H,25,27)/t20-/m1/s1
InChIKeyAJWGYMVOQJOMCB-HXUWFJFHSA-N
MW372.56 g/mol
LogP4.67
Rot. Bonds11

About (2R)-1-carbamimidoyl-N-(4-decylphenyl)pyrrolidine-2-carboxamide

(2R)-1-carbamimidoyl-N-(4-decylphenyl)pyrrolidine-2-carboxamide (PubChem CID 118734406) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is (2R)-1-carbamimidoyl-N-(4-decylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-carbamimidoyl-N-(4-decylphenyl)pyrrolidine-2-carboxamide
PubChem CID118734406
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Name(2R)-1-carbamimidoyl-N-(4-decylphenyl)pyrrolidine-2-carboxamide
SMILES[H]/N=C(\N)N1CCC[C@@H]1C(=O)Nc1ccc(CCCCCCCCCC)cc1
InChIInChI=1S/C22H36N4O/c1-2-3-4-5-6-7-8-9-11-18-13-15-19(16-14-18)25-21(27)20-12-10-17-26(20)22(23)24/h13-16,20H,2-12,17H2,1H3,(H3,23,24)(H,25,27)/t20-/m1/s1
InChIKeyAJWGYMVOQJOMCB-HXUWFJFHSA-N
XLogP4.67
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-carbamimidoyl-N-(4-decylphenyl)piperidine-3-carboxamide
CID 169298692
(2S)-1-carbamimidoyl-N-[(4-octylphenyl)methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118734407
1-(4-dodecylbenzoyl)pyrrolidine-2-carboximidamide
CID 75581341
1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide;heptane
CID 142070720
N'-(4-dodecylphenyl)oxamide
CID 118096540
2-[5-(4-octylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboximidamide
CID 123915367
1-carbamimidoyl-N-(4-decylphenyl)cyclopropane-1-carboxamide
CID 46197558
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(4-hexylbenzoyl)pyrrolidine-2-carboxamide
CID 3447228
3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 119252262
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-hexylbenzoyl)pyrrolidine-2-carboxamide
CID 4529748
(2S)-2-[3-(4-tetradecylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 122192897
(2S)-2-[[2-(4-octylphenyl)-4H-imidazol-5-yl]methyl]pyrrolidine-1-carboximidamide
CID 138566017

Frequently Asked Questions

What is the IUPAC name of (2R)-1-carbamimidoyl-N-(4-decylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-carbamimidoyl-N-(4-decylphenyl)pyrrolidine-2-carboxamide (CID 118734406) is (2R)-1-carbamimidoyl-N-(4-decylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-carbamimidoyl-N-(4-decylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-carbamimidoyl-N-(4-decylphenyl)pyrrolidine-2-carboxamide is [H]/N=C(\N)N1CCC[C@@H]1C(=O)Nc1ccc(CCCCCCCCCC)cc1.
What is the InChIKey of (2R)-1-carbamimidoyl-N-(4-decylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is AJWGYMVOQJOMCB-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H36N4O/c1-2-3-4-5-6-7-8-9-11-18-13-15-19(16-14-18)25-21(27)20-12-10-17-26(20)22(23)24/h13-16,20H,2-12,17H2,1H3,(H3,23,24)(H,25,27)/t20-/m1/s1.
What are the key properties of (2R)-1-carbamimidoyl-N-(4-decylphenyl)pyrrolidine-2-carboxamide?
(2R)-1-carbamimidoyl-N-(4-decylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 372.56 g/mol, XLogP of 4.67, 11 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-carbamimidoyl-N-(4-decylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 118734406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).