(2R)-2-cycloheptyloxy-N-[3-(pyrimidin-2-ylamino)propyl]propanamide

C17H28N4O2 — CID 97226205

IUPAC(2R)-2-cycloheptyloxy-N-[3-(pyrimidin-2-ylamino)propyl]propanamide
SMILESC[C@@H](OC1CCCCCC1)C(=O)NCCCNc1ncccn1
InChIInChI=1S/C17H28N4O2/c1-14(23-15-8-4-2-3-5-9-15)16(22)18-10-6-11-19-17-20-12-7-13-21-17/h7,12-15H,2-6,8-11H2,1H3,(H,18,22)(H,19,20,21)/t14-/m1/s1
InChIKeyIQANKVIRPCQKPR-CQSZACIVSA-N
MW320.44 g/mol
LogP2.52
Rot. Bonds8

About (2R)-2-cycloheptyloxy-N-[3-(pyrimidin-2-ylamino)propyl]propanamide

(2R)-2-cycloheptyloxy-N-[3-(pyrimidin-2-ylamino)propyl]propanamide (PubChem CID 97226205) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (2R)-2-cycloheptyloxy-N-[3-(pyrimidin-2-ylamino)propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-cycloheptyloxy-N-[3-(pyrimidin-2-ylamino)propyl]propanamide
PubChem CID97226205
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(2R)-2-cycloheptyloxy-N-[3-(pyrimidin-2-ylamino)propyl]propanamide
SMILESC[C@@H](OC1CCCCCC1)C(=O)NCCCNc1ncccn1
InChIInChI=1S/C17H28N4O2/c1-14(23-15-8-4-2-3-5-9-15)16(22)18-10-6-11-19-17-20-12-7-13-21-17/h7,12-15H,2-6,8-11H2,1H3,(H,18,22)(H,19,20,21)/t14-/m1/s1
InChIKeyIQANKVIRPCQKPR-CQSZACIVSA-N
XLogP2.52
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-2-cycloheptyloxypropanamide
CID 119498510
2-cycloheptyloxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 71970064
N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine
CID 169229750
5-[(2-cycloheptyloxypropanoylamino)methyl]thiophene-2-carboxylic acid
CID 122110467
(2R)-2-(2-cycloheptyloxypropanoylamino)-2-phenylacetic acid
CID 119367577
2-cycloheptyloxy-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]propanamide
CID 75380704
2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide
CID 91644611
1-(3-cyclohexyloxypropyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
CID 112834635
(2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide
CID 97095706
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477427
(2R)-N-(3-cyclohexyloxypropyl)-2-(2-methylimidazol-1-yl)propanamide
CID 126448035
N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride
CID 119587975

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cycloheptyloxy-N-[3-(pyrimidin-2-ylamino)propyl]propanamide?
The IUPAC name of (2R)-2-cycloheptyloxy-N-[3-(pyrimidin-2-ylamino)propyl]propanamide (CID 97226205) is (2R)-2-cycloheptyloxy-N-[3-(pyrimidin-2-ylamino)propyl]propanamide.
What is the SMILES notation for (2R)-2-cycloheptyloxy-N-[3-(pyrimidin-2-ylamino)propyl]propanamide?
The canonical SMILES for (2R)-2-cycloheptyloxy-N-[3-(pyrimidin-2-ylamino)propyl]propanamide is C[C@@H](OC1CCCCCC1)C(=O)NCCCNc1ncccn1.
What is the InChIKey of (2R)-2-cycloheptyloxy-N-[3-(pyrimidin-2-ylamino)propyl]propanamide?
The InChIKey is IQANKVIRPCQKPR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-14(23-15-8-4-2-3-5-9-15)16(22)18-10-6-11-19-17-20-12-7-13-21-17/h7,12-15H,2-6,8-11H2,1H3,(H,18,22)(H,19,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-cycloheptyloxy-N-[3-(pyrimidin-2-ylamino)propyl]propanamide?
(2R)-2-cycloheptyloxy-N-[3-(pyrimidin-2-ylamino)propyl]propanamide has a molecular weight of 320.44 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cycloheptyloxy-N-[3-(pyrimidin-2-ylamino)propyl]propanamide is sourced from PubChem (CID 97226205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).