N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide

C18H24ClN3O2 — CID 170580551

IUPACN-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H]1NC(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C18H24ClN3O2/c1-11(23)20-15-10-16(15)21-18(24)22-17(12-5-2-3-6-12)13-7-4-8-14(19)9-13/h4,7-9,12,15-17H,2-3,5-6,10H2,1H3,(H,20,23)(H2,21,22,24)/t15-,16-,17+/m1/s1
InChIKeyMSTWPULKCOFWJJ-ZACQAIPSSA-N
MW349.86 g/mol
LogP3.15
Rot. Bonds5

About N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide

N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide (PubChem CID 170580551) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide
PubChem CID170580551
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC NameN-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H]1NC(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C18H24ClN3O2/c1-11(23)20-15-10-16(15)21-18(24)22-17(12-5-2-3-6-12)13-7-4-8-14(19)9-13/h4,7-9,12,15-17H,2-3,5-6,10H2,1H3,(H,20,23)(H2,21,22,24)/t15-,16-,17+/m1/s1
InChIKeyMSTWPULKCOFWJJ-ZACQAIPSSA-N
XLogP3.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea
CID 170581158
3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide
CID 170578738
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 170580700
3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide
CID 170580293
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 170579337
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea
CID 170578486
(Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide
CID 170580069
1-[(3-chlorophenyl)-cyclopentylmethyl]-3-[(5-methyl-1,2-oxazol-4-yl)methyl]urea;cyclopentane;ethane
CID 170580426
(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide
CID 120795524
[(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid
CID 69089641
N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 124610117

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide?
The IUPAC name of N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide (CID 170580551) is N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide?
The canonical SMILES for N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide is CC(=O)N[C@@H]1C[C@H]1NC(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1.
What is the InChIKey of N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide?
The InChIKey is MSTWPULKCOFWJJ-ZACQAIPSSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-11(23)20-15-10-16(15)21-18(24)22-17(12-5-2-3-6-12)13-7-4-8-14(19)9-13/h4,7-9,12,15-17H,2-3,5-6,10H2,1H3,(H,20,23)(H2,21,22,24)/t15-,16-,17+/m1/s1.
What are the key properties of N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide?
N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide has a molecular weight of 349.86 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide is sourced from PubChem (CID 170580551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).